SCHEMBL4375485

SCHEMBL4375485

COc1ccnc(Oc2ccc(N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
BRCA1 P38398 1/20 0.50
HBB P68871 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APAF1 O14727 1/20 0.50
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
CYP3A4 P08684 2/20 0.48
DYRK1A Q13627 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL3177144 0.86 SMN1; SMN2 (0.54) NOS3NOS1NOS2SMN1; SMN2ALDH1A1
SCHEMBL20931741 0.85 MEN1 (0.52) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL28015509 0.83 CCR1 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL19877778 0.83 CCR1 (0.48) NOS3NOS1NOS2SMN1; SMN2ALDH1A1
SCHEMBL28350627 0.82 LOXL2 (0.56) NOS3NOS1NOS2SMN1; SMN2ALDH1A1
SCHEMBL24135708 0.80 PARP10 (0.61) ALDH1A1KMT2AKDM4ELOXL2LOX
SCHEMBL19877732 0.78 LOXL2 (0.62) SMN1; SMN2ALDH1A1KDM4ECCR1CCR5
SCHEMBL1644458 0.77 MAPT (0.52) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL1206676 0.77 CCR1 (0.64) NOS3NOS1NOS2ALDH1A1CCR1
SCHEMBL177968 0.75 KDM4E (0.61) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A

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
US-7504416-B2 4-substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20080027054-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB 2008-01-31 US disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US disclosed
US-20050101630-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2005-05-12 US disclosed
EP-1337513-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002036570-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-05-10 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 (2 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-20080027054-A1 4-Substituted quinolines as antitumor agents CCNY, TPD52L2, H1-10 NOS3 814/4885NOS1 1018/4885NOS2 1187/4885
US-20050101630-A1 4-Substituted quinolines as antitumor agents NQO2, TPD52L2, MLX NOS3 473/4885NOS1 404/4885NOS2 588/4885

“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.