SCHEMBL1633917

SCHEMBL1633917

COc1ccc2cnc(Cl)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
EGFR P00533 2/20 0.57
GFER P55789 1/20 0.51
HPGDS O60760 3/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NQO2 P16083 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
Hydrochloric Acid SCHEMBL28003183 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2EGFRGFER
SCHEMBL1571317 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2EGFRNPC1
Hydrochloric Acid SCHEMBL28007029 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2EGFRNPC1
SCHEMBL29235188 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2EGFRGFER
SCHEMBL12361591 0.80 EGFR (0.59) ALDH1A1KDM4ESMN1; SMN2EGFRGFER
SCHEMBL27766565 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28282206 0.79 EGFR (0.57) ALDH1A1KDM4ESMN1; SMN2EGFRGFER
SCHEMBL30979897 0.79 EGFR (0.57) ALDH1A1KDM4ESMN1; SMN2EGFRHPGDS
SCHEMBL28280976 0.79 EGFR (0.57) ALDH1A1KDM4ESMN1; SMN2EGFRGFER
SCHEMBL1632721 0.79 EGFR (0.57) ALDH1A1KDM4ESMN1; SMN2EGFRGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109999039-A Quinazoline-THF- the amine of halogenation as PDE1 inhibitor H.隆德贝克有限公司 2019-07-12 CN claimed
CN-106132953-B Halogenated quinazolin-THF-amines as PDE1 inhibitors H.隆德贝克有限公司 2019-03-22 CN claimed
CN-109999039-A Quinazoline-THF- the amine of halogenation as PDE1 inhibitor H.隆德贝克有限公司 2019-07-12 CN disclosed
CN-108659005-B Quinazoline derivatives as EGFR inhibitors 南京明德新药研发股份有限公司 2019-05-07 CN disclosed
CN-108640928-B Quinazoline compounds as EGFR inhibitor 南京明德新药研发股份有限公司 2019-05-03 CN disclosed
CN-109694356-A The synthetic method of N- (3- alkynyl phenyl) -4,6- diamino quinazolines compounds and related intermediate 和记黄埔医药(上海)有限公司 2019-04-30 CN disclosed
CN-109694355-A The synthetic method of N- (3- alkynyl phenyl) -4,6- diamino quinazolines compounds and related intermediate 和记黄埔医药(上海)有限公司 2019-04-30 CN disclosed
CN-109694370-A The synthetic method of N- (3- alkynyl phenyl) -4,6- diamino quinazolines compounds and related intermediate 和记黄埔医药(上海)有限公司 2019-04-30 CN disclosed
CN-106132953-B Halogenated quinazolin-THF-amines as PDE1 inhibitors H.隆德贝克有限公司 2019-03-22 CN disclosed
CN-108659005-A Quinazoline derivatives as EGFR inhibitors 南京明德新药研发股份有限公司 2018-10-16 CN disclosed
CN-108640928-A Quinazoline compounds as EGFR inhibitor 南京明德新药研发股份有限公司 2018-10-12 CN disclosed
WO-2010080481-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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 (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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 ALDH1A1 2679/4885KDM4E 1007/4885SMN1; SMN2 3452/4885

“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.