SCHEMBL4494735

SCHEMBL4494735

CSc1cnn2c(N3CCC(C)CC3)c(-c3ccc(F)cc3Cl)c(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
CNR2 P34972 9/20 0.34
CNR1 P21554 7/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
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
SCHEMBL5236556 0.84 GRM5 (0.38) GRM5CNR2CNR1TP53MAPT
SCHEMBL5235784 0.84 TRPV1 (0.38) GRM5CNR2CNR1TP53MAPT
SCHEMBL14374398 0.84 GRM5 (0.34) GRM5CNR2CNR1TP53MAPT
SCHEMBL5486841 0.84 GRM5 (0.36) GRM5CNR2CNR1TP53MAPT
SCHEMBL5240772 0.84 KDM4E (0.39) GRM5CNR2MAPTKDM4ENPC1
SCHEMBL5460517 0.83 TRPV1 (0.38) GRM5CNR2CNR1KDM4EALDH1A1
SCHEMBL14374391 0.83 HTR2C (0.35) GRM5CNR2CNR1TP53MAPT
SCHEMBL14340718 0.83 TRPV1 (0.36) GRM5CNR2CNR1TP53MAPT
SCHEMBL4506761 0.83 GRM5 (0.41) GRM5CNR2CNR1TP53MAPT
SCHEMBL4491430 0.83 GRM5 (0.40) GRM5CNR2CNR1TP53MAPT

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-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 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 (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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 GRM5 1032/4885CNR2 812/4885CNR1 720/4885

“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.