SCHEMBL8900141

SCHEMBL8900141

COC(=O)Nc1ccc2nc(N[RaH])ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
AGPAT2 O15120 7/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8901234 0.82 CYP3A4 (0.50) KDM4ENPC1RAB9AMCHR1MAPT
SCHEMBL7252957 0.78 SMN1; SMN2 (0.61) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8902362 0.77 EGFR (0.45) NPC1RAB9AMCHR1MAPTMEN1
SCHEMBL8900971 0.77 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL8901413 0.76 NPC1 (0.39) KDM4ENPC1RAB9AMCHR1MAPT
SCHEMBL8901370 0.76 CYP2A6 (0.45) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL8902031 0.73 MAPT (0.37) KDM4ENPC1RAB9AMCHR1MAPT
SCHEMBL3415257 0.72 HPGDS (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8900856 0.72 NPC1 (0.66) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2096821 0.72 RAB9A (0.62) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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 2 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 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 KDM4E 1411/4885AGPAT2 2339/4885NPC1 2445/4885

“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.