SCHEMBL216106

SCHEMBL216106

Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
HTT P42858 4/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
HSPB1 P04792 2/20 0.45
CYP3A4 P08684 1/20 0.44
PDE7A Q13946 1/20 0.44
S1PR4 O95977 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB3 P21860 1/20 0.43
ERBB4 Q15303 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL29888161 1.00 MEN1 (0.53) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL30929726 0.86 HSPB1 (0.49) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1193081 0.86 PDE7A (0.48) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1406554 0.86 KMT2A (0.63) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1554051 0.86 ALDH1A1 (0.44) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL24167691 0.86 ALDH1A1 (0.45) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1192920 0.86 MEN1 (0.49) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1406484 0.86 HSPB1 (0.57) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL5565238 0.86 HSPB1 (0.49) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL30879433 0.86 ALDH1A1 (0.45) MEN1KMT2AHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-11-28 US disclosed
EP-4380941-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS Bristol-Myers Squibb Company (US) 2024-06-12 EP disclosed
CN-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN disclosed
US-20240116921-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2024-04-11 US disclosed
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 WO disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
EP-1651652-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-05-03 EP disclosed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO disclosed
EP-1567506-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS Array Biopharma, Inc. (US) 2005-08-31 EP disclosed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO disclosed
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
WO-2005010008-A1 SUBSTITUTED TETRAHYDROBENZOTHIENOPYRIMIDINAMINE COMPOUNDS USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 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 (4 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-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS ERBB2, ERBB3, EGFR MEN1 4250/4885KMT2A 2304/4885HTT 2542/4885
US-20240116921-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, FGFR2, ERBB3 MEN1 1802/4885KMT2A 2747/4885HTT 4216/4885
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 MEN1 1307/4885KMT2A 2427/4885HTT 3486/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR MEN1 2095/4885KMT2A 2763/4885HTT 2718/4885

“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.