SCHEMBL2409536

SCHEMBL2409536

CCOC(=O)c1nc2cc(C)cc(F)c2nc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GLP1R P43220 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TARBP2 Q15633 1/20 0.37
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28345846 0.81 TSHR (0.50) TSHRGLP1RKMT2AKDM4EMAPK1
SCHEMBL2021969 0.81 CYP1A2 (0.46) TSHRKMT2AKDM4EMAPK1L3MBTL1
SCHEMBL6990252 0.77 TSHR (0.44) TSHRGLP1RKMT2AKDM4EMAPK1
SCHEMBL2407523 0.77 KDM5B (0.34) TSHRKMT2AKDM4EL3MBTL1CYP1A2
SCHEMBL2411055 0.75 TSHR (0.48) TSHRGLP1RKMT2AKDM4EMAPK1
SCHEMBL2405581 0.75 TSHR (0.48) TSHRGLP1RKMT2AKDM4EMAPK1
SCHEMBL2407562 0.74 GLP1R (0.51) TSHRGLP1RKMT2AKDM4EMAPK1
SCHEMBL6990393 0.74 TSHR (0.44) TSHRGLP1RKMT2AKDM4EMAPK1
SCHEMBL2019925 0.73 TSHR (0.63) TSHRGLP1RKMT2AKDM4EL3MBTL1
SCHEMBL2025570 0.73 TSHR (0.63) TSHRGLP1RKMT2AKDM4EL3MBTL1

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
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 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 (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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A TSHR 2981/4885GLP1R 130/4885KMT2A 1357/4885

“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.