SCHEMBL4982979

SCHEMBL4982979

Nc1ncnc2c1CCN(C(=O)c1ccc(F)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.50
P2RX7 Q99572 1/20 0.45
HSP90AB1 P08238 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4990817 0.88 PKM (0.46) GRM5P2RX7CDK4CCND1ABL1
SCHEMBL4988057 0.88 P2RX7 (0.45) GRM5P2RX7HSP90AB1CA12CA1
SCHEMBL4985624 0.87 P2RX7 (0.49) GRM5P2RX7KCNH2
SCHEMBL4989574 0.87 MEN1 (0.48) P2RX7KCNH2
SCHEMBL4984815 0.87 GRM5 (0.48) GRM5P2RX7ABL1BCR
SCHEMBL4989748 0.86 SMN1; SMN2 (0.55) GRM5P2RX7CDK4CCND1CA12
SCHEMBL4984728 0.84 GRM5 (0.47) GRM5P2RX7L3MBTL1
SCHEMBL4987150 0.84 SLC6A7 (0.44) GRM5P2RX7
SCHEMBL4983032 0.84 ALDH1A1 (0.48) ABL1BCR
SCHEMBL4989547 0.84 HPGD (0.49) GRM5L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GRM5 231/4885P2RX7 1/4885HSP90AB1 1175/4885

“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.