SCHEMBL4115121

SCHEMBL4115121

O=C(Cc1cccnc1)Nc1ccc2nc(NC3CCc4cc(F)ccc43)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.43
ROCK2 O75116 3/20 0.43
CRACR2A Q9BSW2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB8 P28062 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PARP1 P09874 1/20 0.39
CDK9 P50750 1/20 0.39
PDE3B Q13370 1/20 0.39

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
SCHEMBL4114887 0.90 NPC1 (0.41) ROCK2NPC1RAB9AKDM4EMEN1
SCHEMBL3407111 0.83 KDM4E (0.47) ROCK2NPC1RAB9AKDM4EMEN1
SCHEMBL4111354 0.83 NAMPT (0.42) NPC1RAB9ATRPV1
SCHEMBL4099205 0.81 TRPV1 (0.44) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL3413449 0.79 TRPV1 (0.42) L3MBTL1TRPV1
SCHEMBL4117870 0.78 ATM (0.49) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL3413266 0.77 TRPV1 (0.45) NPC1RAB9AKMT2ATRPV1
SCHEMBL3411341 0.76 USP2 (0.40) NPY5RKMT2ATRPV1PARP1
SCHEMBL3401343 0.75 KMT2A (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3398554 0.75 NPC1 (0.52) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B NPY5R 10/4885ROCK2 2131/4885CRACR2A 4065/4885

“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.