SCHEMBL3811331

SCHEMBL3811331

COc1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
CYP19A1 P11511 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.59
PTGS2 P35354 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MLNR O43193 1/20 0.59
MMP1 P03956 1/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
GLA P06280 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
TBXA2R P21731 1/20 0.59

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
SCHEMBL30222321 1.00 MEN1 (0.59) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL4229377 0.86 ALDH1A1 (0.55) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL2028009 0.86 HTT (0.58) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL4229181 0.85 ALDH1A1 (0.69) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL4229257 0.84 TTR (0.69) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL14861188 0.84 TBXA2R (0.54) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL124556 0.84 TBXA2R (0.54) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5553432 0.84 MAPT (0.55) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL21295542 0.84 MAPT (0.55) MEN1KMT2ALMNAMAPTCYP19A1
SCHEMBL30744006 0.84 MAPT (0.55) MEN1KMT2ALMNAMAPTCYP19A1

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 16 patents. 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
CN-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9802920-B2 Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-20 US disclosed
EP-3080098-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
WO-2015086636-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
WO-2015086636-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 WO disclosed
EP-1631292-B1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-20070149546-A1 4-Anilino-quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2007-06-28 US disclosed
EP-1631292-A1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS Astra Zeneca AB (SE) 2006-03-08 EP disclosed
WO-2004093880-A1 4-ANILINO-QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2004-11-04 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 (3 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-20070149546-A1 4-Anilino-quinazoline derivatives as antiproliferative agents ABL1, ERBB2, ERBB4 MEN1 1383/4885KMT2A 1711/4885LMNA 3225/4885
US-20240391931-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS ERBB2, ERBB3, EGFR MEN1 4250/4885KMT2A 2304/4885LMNA 4363/4885
US-20160304497-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MEN1 3807/4885KMT2A 1959/4885LMNA 4183/4885

“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.