SCHEMBL31691998

SCHEMBL31691998

CCn1ccc2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CYP19A1 P11511 2/20 0.42
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
KDR P35968 8/20 0.41
FLT1 P17948 7/20 0.40
TGFBR1 P36897 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL9911122 1.00 P2RX7 (0.43) P2RX7HTR2AHTR2CHTR2BCYP19A1
SCHEMBL26707490 0.85 P2RX7 (0.47) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL31362128 0.85 P2RX7 (0.47) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL9911121 0.85 CYP19A1 (0.45) P2RX7HTR2AHTR2CHTR2BCYP19A1
SCHEMBL31609625 0.81 P2RX7 (0.43) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL18926930 0.80 HTR2C (0.49) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL27572943 0.80 FLT1 (0.43) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL20284294 0.79 P2RX7 (0.38) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL24110439 0.78 P2RX7 (0.47) P2RX7HTR2AHTR2CHTR2BCDC7
SCHEMBL24110654 0.78 P2RX7 (0.44) P2RX7HTR2AHTR2CHTR2BCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 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-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 P2RX7 3705/4885HTR2A 2144/4885HTR2C 1621/4885

“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.