SCHEMBL2547264

SCHEMBL2547264

CCCn1ccc2ccncc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
MAPT P10636 6/20 0.44
GRM2 Q14416 3/20 0.44
CYP19A1 P11511 3/20 0.42
HTR1D P28221 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL14722271 0.90 P2RX7 (0.51) P2RX7MAPTCYP19A1HTR1DCDK4
SCHEMBL31362128 0.86 P2RX7 (0.47) P2RX7GRM2HTR1DCDK4CCND1
SCHEMBL26707490 0.86 P2RX7 (0.47) P2RX7GRM2HTR1DCDK4CCND1
SCHEMBL9911121 0.85 CYP19A1 (0.45) P2RX7MAPTCYP19A1CDC7CDK2
SCHEMBL31536146 0.82 P2RX7 (0.47) P2RX7MAPTCYP19A1HTR1DCDK4
SCHEMBL14723301 0.81 NFATC1 (0.52) P2RX7MAPTCYP19A1HTR1DCDK4
SCHEMBL18926929 0.77 KCNH2 (0.50) P2RX7MAPTCYP19A1CDC7CDK2
SCHEMBL28081827 0.77 CYP19A1 (0.41) P2RX7MAPTCYP19A1CDC7CDK2
SCHEMBL2127960 0.77 KMO (0.56) P2RX7MAPT
SCHEMBL21245260 0.77 P2RX7 (0.52) P2RX7MAPTCYP19A1CDK4CCND1

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-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 P2RX7 2180/4885MAPT 1161/4885GRM2 2006/4885

“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.