SCHEMBL5356428

SCHEMBL5356428

Cc1c(C(F)(F)F)ccc(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
CD44 P16070 1/20 0.34
KIF11 P52732 2/20 0.34
CYP3A4 P08684 3/20 0.33
PIK3CA P42336 1/20 0.33
AR P10275 2/20 0.32
TDP1 Q9NUW8 4/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
SCHEMBL15841662 0.83 SMN1; SMN2 (0.39) SMN1; SMN2TSHRPOLBGLAGAA
SCHEMBL21416706 0.82 POLB (0.50) TSHRPOLBGLAGAACD44
SCHEMBL24697149 0.80 KIF11 (0.37) SMN1; SMN2TSHRPOLBGLAGAA
SCHEMBL10342433 0.79 CD44 (0.36) SMN1; SMN2TSHRPOLBGAACD44
SCHEMBL8321579 0.78 IDO1 (0.37) TSHRPOLBGLAGAAKIF11
SCHEMBL23674368 0.78 NOTUM (0.35) SMN1; SMN2TSHRPOLBGLAGAA
SCHEMBL13199169 0.77 AR (0.38) TSHRPOLBGLAGAAKIF11
SCHEMBL27373919 0.76 MPL (0.38) SMN1; SMN2TSHRPOLBGLAGAA
SCHEMBL18299354 0.75 APP (0.36) TSHRPOLBGLAGAAKIF11
SCHEMBL22969925 0.75 FFAR4 (0.35) SMN1; SMN2TSHRPOLBGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182453-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-06-06 US disclosed
WO-2024112287-A1 BENZIMIDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BANOGLU ERDEN (TR) 2024-05-30 WO disclosed
CN-115028617-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-09-09 CN disclosed
CN-109476641-B Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-07-05 CN disclosed
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 CN disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
CN-109923111-A ANTIBIOTIC COMPOUNDS 迪斯库瓦有限公司 2019-06-21 CN disclosed
EP-3006429-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2019-02-06 EP disclosed
CN-107531690-A The amines of 4,5,6,7 tetrahydrochysene 1H pyrazolos [4,3 c] pyridine 3 as CBP and/or EP300 inhibitor 基因泰克公司 2018-01-02 CN disclosed
EP-2655337-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2016-11-23 EP disclosed
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-10 US disclosed
EP-2739624-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2014-06-11 EP disclosed
CN-103717598-A Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-04-09 CN disclosed
US-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-16 US disclosed
US-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 US disclosed
WO-2013018928-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 WO disclosed
US-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20140018373-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF NR4A1, NR2C2, NR0B1 SMN1; SMN2 2358/4885TSHR 180/4885POLB 4715/4885
US-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL ZCCHC8, RRS1, HRH4 SMN1; SMN2 3592/4885TSHR 338/4885POLB 1646/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 SMN1; SMN2 4315/4885TSHR 4828/4885POLB 234/4885
US-20140194290-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL NR0B1, NR4A1, NR2C2 SMN1; SMN2 1925/4885TSHR 294/4885POLB 4628/4885
US-20240182453-A1 NOVEL SUBSTITUTED PYRAZINE-CARBOXAMIDE DERIVATIVES GRIA4, GRM4, GRM1 SMN1; SMN2 1705/4885TSHR 387/4885POLB 4521/4885
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG SMN1; SMN2 2609/4885TSHR 576/4885POLB 3335/4885

“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.