SCHEMBL17812871

SCHEMBL17812871

CC(C)c1ccc2nnnn2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TNKS O95271 1/20 0.31
HTT P42858 1/20 0.31
ESRRA P11474 3/20 0.31
NTRK1 P04629 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL25574696 0.85 HTT (0.33) NOTUMKDM4EHPGDALDH1A1HTT
SCHEMBL20206931 0.85 NOTUM (0.32) NOTUMKDM4EHPGDALDH1A1
SCHEMBL19788241 0.81
SCHEMBL22214045 0.73 CNR2 (0.33) ALDH1A1LMNAHTT
SCHEMBL21912617 0.72 KEAP1 (0.33) NOTUMKDM4EHPGDLMNA
SCHEMBL9769369 0.71 ADRB2 (0.33) KDM4EHPGDALDH1A1MAPK1LMNA
SCHEMBL9769352 0.71 ADRB2 (0.33) KDM4EHPGDALDH1A1MAPK1LMNA
SCHEMBL9769270 0.71 ADRB2 (0.43) KDM4ELMNA
SCHEMBL9769278 0.71 ADRB2 (0.43) KDM4ELMNA
SCHEMBL9290949 0.69 HTT (0.30) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190185469-A1 4-AZAINDOLE COMPOUNDS SYNGENE INTERNATIONAL LIMITED (IN) 2019-06-20 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 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 (15 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 NOTUM 4211/4885KDM4E 1790/4885HPGD 1309/4885
US-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 NOTUM 3179/4885KDM4E 1774/4885HPGD 328/4885
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 NOTUM 3696/4885KDM4E 528/4885HPGD 1787/4885
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 NOTUM 4300/4885KDM4E 1484/4885HPGD 2781/4885
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 NOTUM 4733/4885KDM4E 3174/4885HPGD 3197/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 NOTUM 4550/4885KDM4E 2185/4885HPGD 2084/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 NOTUM 4507/4885KDM4E 2806/4885HPGD 2414/4885
US-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 NOTUM 4053/4885KDM4E 2167/4885HPGD 1059/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 NOTUM 4733/4885KDM4E 3174/4885HPGD 3197/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 NOTUM 4733/4885KDM4E 3174/4885HPGD 3197/4885
US-20190185469-A1 4-AZAINDOLE COMPOUNDS TLR7, TLR9, TLR5 NOTUM 4211/4885KDM4E 1790/4885HPGD 1309/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 NOTUM 2474/4885KDM4E 2986/4885HPGD 1212/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 NOTUM 4465/4885KDM4E 1431/4885HPGD 3608/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 NOTUM 3504/4885KDM4E 2242/4885HPGD 1121/4885
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 NOTUM 3852/4885KDM4E 4428/4885HPGD 2665/4885

“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.