SCHEMBL1104686

SCHEMBL1104686

CC(C)(C)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
KDR P35968 1/20 0.44
RAPGEF4 Q8WZA2 3/20 0.44
RAPGEF3 O95398 2/20 0.44
KIF11 P52732 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.42
NOTUM Q6P988 6/20 0.42
AR P10275 1/20 0.41
PYCR1 P32322 1/20 0.41
LMNA P02545 1/20 0.41
PDK1 Q15118 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22900018 0.88 KIF11 (0.39) RAPGEF4RAPGEF3KIF11NOTUMAR
SCHEMBL22900078 0.88 KIF11 (0.39) IDO1RAPGEF4RAPGEF3KIF11AR
SCHEMBL30418237 0.85 CES2 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1040760 0.85 CES2 (0.50) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10610735 0.85 ALDH1A1 (0.43) KIF11LMNA
SCHEMBL26546127 0.84 IDO1 (0.42) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12386837 0.83 PDE2A (0.47) KIF11LMNA
SCHEMBL4792259 0.83 PDE2A (0.51) RAPGEF4RAPGEF3KIF11NOTUMAR
SCHEMBL5382327 0.83 IDO1 (0.47) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18768745 0.81 IDO1 (0.44) IDO1HTR3EHTR3BHTR3AHTR3D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 US disclosed
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 US disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS MYD88, TLR5, TLR8 IDO1 2370/4885HTR3E 2671/4885HTR3B 3188/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 IDO1 4374/4885HTR3E 2660/4885HTR3B 1731/4885
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA IDO1 2076/4885HTR3E 251/4885HTR3B 207/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 IDO1 4374/4885HTR3E 2660/4885HTR3B 1731/4885
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 IDO1 459/4885HTR3E 544/4885HTR3B 741/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 IDO1 265/4885HTR3E 1503/4885HTR3B 1772/4885
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FASN, NAAA, FPR3 IDO1 899/4885HTR3E 3335/4885HTR3B 3445/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 IDO1 1001/4885HTR3E 3953/4885HTR3B 4436/4885
US-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 IDO1 399/4885HTR3E 61/4885HTR3B 29/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 IDO1 2754/4885HTR3E 3034/4885HTR3B 1935/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 IDO1 2754/4885HTR3E 3034/4885HTR3B 1935/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL IDO1 2823/4885HTR3E 2099/4885HTR3B 1145/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 IDO1 1112/4885HTR3E 2272/4885HTR3B 1401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.