SCHEMBL4028459

SCHEMBL4028459

Nc1ccc2c(c1)c(Cl)nn2Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ SYK P43405 1/20 0.45
▸ MCHR1 Q99705 2/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL4029748 0.80 CNR2 (0.55) CNR1ACHECNR2L3MBTL1ALDH1A1
SCHEMBL4028006 0.76 SYK (0.48) CNR1ACHECNR2SYKMAOA
SCHEMBL5434835 0.75 CNR1 (0.51) CNR1ACHECNR2MAOBL3MBTL1
SCHEMBL5475115 0.75 GABRA1 (0.41) SYKPIK3CDMAOAMAOBSLC2A1
SCHEMBL5297088 0.74 CNR1 (0.49) CNR1ACHECNR2ALDH1A1KDM4E
SCHEMBL938232 0.73 ERBB2 (0.53) SYKL3MBTL1GRIN1GRIN2B
SCHEMBL5443607 0.72 KDM4C (0.39) CNR1ACHECNR2GRM4KMT2A
Hydrochloric Acid SCHEMBL19896389 0.71 L3MBTL1 (0.47) CNR2SYKMAOAMAOBL3MBTL1
SCHEMBL5464861 0.71 CNR1 (0.39) CNR1ACHECNR2PIK3CDGRM4
SCHEMBL5437713 0.70 CNR1 (0.40) CNR1ACHECNR2GRM4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 — — EP disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 — — EP disclosed
CN-100343238-C Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-10-17 — — CN disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 — — US disclosed
CN-1764651-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2006-04-26 — — CN disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 — — US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 — — US disclosed
CN-1585754-A Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-23 — — CN disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 — — EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 — — 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CNR1 500/4885ACHE 3010/4885CNR2 542/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CNR1 501/4885ACHE 2950/4885CNR2 658/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 CNR1 500/4885ACHE 3010/4885CNR2 542/4885

“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.

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