SCHEMBL3470112

SCHEMBL3470112

COC(=O)c1cc(OC)c(OC)cc1OCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
KMT2A Q03164 2/20 0.53
POLB P06746 3/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
HSP90AA1 P07900 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 4/20 0.46
HSD17B10 Q99714 4/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.42
FDPS P14324 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL3471175 0.86 KMT2A (0.56) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL267614 0.83 KDM4E (0.50) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL28788962 0.81 POLB (0.52) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL7466908 0.80 KDM4E (0.68) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL22743806 0.80 SMN1; SMN2 (0.47) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL27400702 0.80 TSHR (0.61) KDM4EKMT2APOLBALDH1A1HPGD
SCHEMBL3471737 0.79 KMT2A (0.48) KDM4EKMT2APOLBALDH1A1MAPT
SCHEMBL16533382 0.78 MAPT (0.60) KMT2AMAPTHPGDHSP90AA1CYP1A2
SCHEMBL17992557 0.78 KDM4E (0.55) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL24502272 0.77 TDP1 (0.45) KDM4EKMT2AALDH1A1MAPTHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746242-A Synthesis method of 6, 7-substituent-4-aniline quinazoline OMEGA CO LTD 2012-10-24 CN claimed
CN-102746242-A Synthesis method of 6, 7-substituent-4-aniline quinazoline OMEGA CO LTD 2012-10-24 CN disclosed
CN-101863844-B Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2012-10-03 CN disclosed
WO-2011147102-A1 SYNTHETIC METHOD FOR 6,7-SUBSTITUENTS-4-ANILINE QUINAZOLINE 翔真生物科技股份有限公司 (CN) 2011-12-01 WO disclosed
US-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline OMEGA MEDICAL TAIWAN LIMITED (TW) 2010-10-21 US disclosed
CN-101863844-A Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2010-10-20 CN 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 (1 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-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline NQO2, ATIC, CYP3A7 KDM4E 2145/4885KMT2A 2686/4885POLB 2315/4885

“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.