SCHEMBL2407674

SCHEMBL2407674

Cc1nc2ccc(F)cc2nc1C(=O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
CASP3 P42574 3/20 0.36
KMT2A Q03164 2/20 0.36
PLA2G2A P14555 1/20 0.36
DHODH Q02127 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2408384 0.87 MAPT (0.46) TSHRKDM4ETDP1KMT2AMAPT
SCHEMBL2409584 0.87 MAPT (0.46) TSHRKDM4ETDP1KMT2AMAPT
SCHEMBL2407906 0.83 KDM4E (0.35) TSHRKDM4ETDP1KMT2ACYP1A2
SCHEMBL2412550 0.83 MAPT (0.43) KDM4ETDP1KMT2ACYP1A2NMT2
SCHEMBL28040921 0.78 TDP1 (0.53) TSHRKDM4ETDP1CASP3KMT2A
SCHEMBL2407523 0.76 KDM5B (0.34) TSHRKDM4EKMT2ACYP1A2CYP2C19
SCHEMBL2025570 0.75 TSHR (0.63) TSHRKDM4ETDP1CASP3KMT2A
SCHEMBL2019925 0.75 TSHR (0.63) TSHRKDM4ETDP1CASP3KMT2A
SCHEMBL2410689 0.72 KCNH2 (0.35) KDM4EKMT2ACYP1A2CYP2C19MAPT
SCHEMBL12638658 0.72 KDM4E (0.57) TSHRKDM4ETDP1CASP3KMT2A

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 6 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
WO-2013027794-A1 NOVEL COMPOUND AND USE THEREOF AS PDE10 INHIBITOR 田辺三菱製薬株式会社 (JP) 2013-02-28 WO 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 2981/4885KDM4E 408/4885TDP1 290/4885

“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.