SCHEMBL7934288

SCHEMBL7934288

C/C=C/c1nc2cc(F)ccc2nc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK10 P53779 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.32
PSMB5 P28074 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
F2RL1 P55085 2/20 0.31

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
SCHEMBL2021348 0.83 NPC1 (0.43) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL7930936 0.80 KDM4E (0.41) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL7935792 0.80 KDM4E (0.43) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL12574606 0.80 KDM4E (0.43) KDM4EKMT2ANPC1RAB9AMAPT
SCHEMBL30681903 0.74 KDM4E (0.53) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL2133266 0.74 KDM4E (0.53) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL20248282 0.72 KDM4E (0.42) KDM4EKMT2ANPC1RAB9AMEN1
Formic Acid SCHEMBL27894120 0.72 NPC1 (0.44) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL20248268 0.69 KDM4E (0.39) KDM4EKMT2ANPC1RAB9AMEN1
SCHEMBL13678721 0.68 MAPT (0.37) KDM4ERAB9AMAPTCYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A KDM4E 322/4885KMT2A 1750/4885NPC1 4338/4885

“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.