SCHEMBL4494555

SCHEMBL4494555

CC1CCN(c2c(-c3ccc(F)cc3Cl)c(Cl)nc3ccnn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.39
CNR1 P21554 8/20 0.38
KCNH2 Q12809 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
DPP4 P27487 2/20 0.35
GRM5 P41594 1/20 0.35
HTR2C P28335 1/20 0.35
RCE1 Q9Y256 1/20 0.35
F2RL1 P55085 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL3424653 0.83 PDE2A (0.45) TRPV1
SCHEMBL14500980 0.80 CDK2 (0.35) TRPV1DPP4HTR2CCDK1CDK2
SCHEMBL4494735 0.79 GRM5 (0.35) CNR2CNR1KCNH2TRPV1GRM5
SCHEMBL5235784 0.79 TRPV1 (0.38) CNR2CNR1KCNH2TRPV1GRM5
SCHEMBL14374398 0.79 GRM5 (0.34) CNR2CNR1KCNH2TRPV1GRM5
SCHEMBL5240772 0.79 KDM4E (0.39) CNR2DPP4GRM5RCE1CDK2
SCHEMBL5486841 0.79 GRM5 (0.36) CNR2CNR1KCNH2TRPV1GRM5
SCHEMBL5236556 0.79 GRM5 (0.38) CNR2CNR1KCNH2TRPV1GRM5
SCHEMBL4494732 0.78 TRPV1 (0.35) CNR2CNR1KCNH2TRPV1GRM5
SCHEMBL4506761 0.78 GRM5 (0.41) CNR2CNR1TRPV1GRM5

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-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 CNR2 812/4885CNR1 720/4885KCNH2 244/4885
US-20070259893-A1 microbicides, fungicides; 7-amino-pyrazolo(1,5-a)pyrimidines; controlling unwanted microorganisms PNPO, CYP4X1, CYP1B1 CNR2 2192/4885CNR1 1226/4885KCNH2 1929/4885

“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.