SCHEMBL10288448

SCHEMBL10288448

CCc1ncc(CO)n1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL27703020 0.85 ALDH1A1 (0.39) CYP2C19ALDH1A1LMNAALOX15NPSR1
SCHEMBL14037790 0.83 CYP2C19 (0.38) CYP2C19ALDH1A1NPC1RAB9AKMT2A
SCHEMBL27553901 0.81 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL8557825 0.81 ALDH1A1 (0.36) CYP2C19ALDH1A1LMNAALOX15NPSR1
SCHEMBL14012156 0.79 ALDH1A1 (0.40) CYP2C19ALDH1A1NPC1RAB9AKMT2A
SCHEMBL6778626 0.79 ALDH1A1 (0.40) CYP2C19ALDH1A1NPC1RAB9AKMT2A
SCHEMBL8556750 0.74 HDAC6 (0.41) ALDH1A1KMT2AMEN1LMNAALOX15
SCHEMBL859147 0.74
SCHEMBL25239515 0.72
SCHEMBL3763823 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
WO-2008140781-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS ATHEROGENICS, INC. (US) 2008-11-20 WO disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CYP2C19 4590/4885ALDH1A1 1649/4885NPC1 1129/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CYP2C19 3617/4885ALDH1A1 3553/4885NPC1 2863/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CYP2C19 4235/4885ALDH1A1 3139/4885NPC1 3563/4885

“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.