SCHEMBL8098549

SCHEMBL8098549

Cc1cccc2oncc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CYP1A2 P05177 4/20 0.44
CYP2A6 P11509 3/20 0.44
ALDH1A1 P00352 2/20 0.38
CSF1R P07333 1/20 0.37
TRPA1 O75762 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
ELANE P08246 1/20 0.32
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29321860 0.84 CYP1A2 (0.48) BRD4CYP1A2CYP2A6ALDH1A1CSF1R
SCHEMBL29321863 0.77 ALDH1A1 (0.40) BRD4CYP1A2CYP2A6ALDH1A1CSF1R
SCHEMBL2005193 0.76 BRD4 (0.42) BRD4CYP1A2ALDH1A1KDM4ECA1
SCHEMBL2005190 0.74 BRD4 (0.41) BRD4CA1CA2CA7CA9
SCHEMBL476806 0.74 CYP1A2 (0.44) BRD4CYP1A2CYP2A6TSHRTP53
SCHEMBL20871562 0.74 BRD4 (0.41) BRD4
SCHEMBL8404485 0.74 CCR1 (0.35) BRD4CYP1A2CYP2A6CSF1RTSHR
SCHEMBL2736863 0.74 CYP3A4 (0.44) BRD4CYP1A2ALDH1A1KDM4ETSHR
SCHEMBL24399382 0.74 BRD4 (0.42) BRD4ALDH1A1KDM4ECA1CA2
SCHEMBL21026104 0.74 BRD4 (0.42) BRD4ALDH1A1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-01 US disclosed
US-20220062296-A1 COMBINATIONS OF GABAA ALPHA 5 AGONISTS AND SV2A INHIBITORS AND METHODS OF USING IN THE TREATMENT OF COGNITIVE IMPAIRMENT AGENEBIO, INC. 2022-03-03 US disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
WO-2019195496-A1 IMPROVED WEED CONTROL FROM APPLICATIONS OF PYRIDINE CARBOXYLIC ACID HERBICIDES AND ACETYL CoA CARBOXYLASE (ACCase) INHIBITORS DOW AGROSCIENCES LLC (US) 2019-10-10 WO disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-2231663-B1 6-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-1,6-NAPHTHYRIDIN-5(6H)-ONE DERIVATIVES AS C-MET INHIBITORS AMGEN INC (US) 2017-08-02 EP disclosed
EP-3170824-A1 6-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLMETHYL)-1,6-NAPHTHYRIDIN-5(6H)-ONE DERIVATIVES AS C-MET INHIBITORS Amgen, Inc (US) 2017-05-24 EP disclosed
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
EP-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 WO 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 (6 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET BRD4 3499/4885CYP1A2 269/4885CYP2A6 202/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 BRD4 576/4885CYP1A2 1175/4885CYP2A6 1139/4885
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE CHRM1, CHRM2, CHRM4 BRD4 869/4885CYP1A2 336/4885CYP2A6 399/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A BRD4 1149/4885CYP1A2 1924/4885CYP2A6 1059/4885
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 BRD4 367/4885CYP1A2 4602/4885CYP2A6 3967/4885
US-20220062296-A1 COMBINATIONS OF GABAA ALPHA 5 AGONISTS AND SV2A INHIBITORS AND METHODS OF USING IN THE TREATMENT OF COGNITIVE IMPAIRMENT GABRA5, GRM5, GABRA2 BRD4 3419/4885CYP1A2 796/4885CYP2A6 2390/4885

“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.