SCHEMBL963024

SCHEMBL963024

Cc1nn(C)c(-n2cnc3ccccc32)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.46
MAPK1 P28482 1/20 0.44
HTT P42858 4/20 0.43
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH3A1 P30838 1/20 0.38
NOD1 Q9Y239 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL965353 0.83 ALDH1A1 (0.49) FGFR1MAPK1HTTMAPTL3MBTL1
SCHEMBL965352 0.83 ALDH1A1 (0.49) FGFR1MAPK1HTTMAPTL3MBTL1
SCHEMBL20680745 0.79 MAPK1 (0.47) FGFR1MAPK1HTTPOLBKDM4E
SCHEMBL965856 0.77 HTT (0.40) HTTPOLBKDM4EMAPTNPSR1
SCHEMBL20697938 0.75 MAPK1 (0.46) FGFR1MAPK1HTTPOLBMAPT
SCHEMBL20698292 0.73 MAPK1 (0.44) FGFR1MAPK1HTTPOLB
SCHEMBL963496 0.72 HTT (0.47) HTTPOLBKDM4EMAPTNPSR1
SCHEMBL963202 0.72 CYP1A2 (0.38) HTTPOLBKDM4EMAPTNPSR1
SCHEMBL966733 0.71 HTT (0.40) HTTPOLBKDM4EMAPTL3MBTL1
SCHEMBL20698021 0.71 TNF (0.43) FGFR1MAPK1HTTPOLBKDM4E

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 FGFR1 511/4885MAPK1 1505/4885HTT 3376/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG FGFR1 117/4885MAPK1 1686/4885HTT 3799/4885

“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.