SCHEMBL4665313

SCHEMBL4665313

c1ccc2nc(CN3CCNCC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CXCR4 P61073 5/20 0.46
DPP4 P27487 2/20 0.45
FAP Q12884 1/20 0.45
HTR3A P46098 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HTR3B O95264 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR7 P34969 1/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL1514879 0.85 SLC6A4 (0.50) SIGMAR1DPP4FAPHTR3ASLC6A4
SCHEMBL27924344 0.75 CXCR4 (0.40) SIGMAR1CXCR4ALDH1A1HTR2CTDP1
SCHEMBL2170401 0.75 CYP3A4 (0.55) SIGMAR1CXCR4HTR3ASLC6A4HTR3E
SCHEMBL29756443 0.75 CYP3A4 (0.55) SIGMAR1CXCR4HTR3ASLC6A4HTR3E
SCHEMBL3595508 0.75 FAAH (0.56) SIGMAR1DPP4CHRNB2CHRNA4
SCHEMBL7508914 0.75 SIGMAR1 (0.52) SIGMAR1CXCR4KDM4EALDH1A1TDP1
SCHEMBL31662962 0.74 OPRL1 (0.44) KDM4EALDH1A1
SCHEMBL3917010 0.74 CXCR4 (0.57) SIGMAR1CXCR4HTR3ASLC6A4HTR3E
SCHEMBL20181158 0.74 SIGMAR1 (0.49) SIGMAR1CXCR4HTR3AKDM4EALDH1A1
SCHEMBL17061646 0.73 KDM4E (0.43) SIGMAR1HTR3ASLC6A4HTR3EKDM4E

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
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
US-6127360-A ANTIHISTAMINES, ANTILEUKOTRIENES, ANTIINFLAMMATORY AGENTS, ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 2000-10-03 US disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP 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-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 SIGMAR1 562/4885CXCR4 194/4885DPP4 4092/4885

“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.