SCHEMBL12280997

SCHEMBL12280997

Cc1cn2nccc2c(Br)c1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1701673 0.74 MAP4K4 (0.30)
SCHEMBL27404245 0.69 CYP1A2 (0.47) CYP1A2POLBCYP2D6CYP2C9
SCHEMBL23589214 0.68 EGFR (0.37) CYP1A2POLBCYP2D6CYP2C9
SCHEMBL1701973 0.67 AXL (0.32)
SCHEMBL12156330 0.65 NPC1 (0.34) CYP1A2POLBCYP2D6CYP2C9
SCHEMBL1701957 0.65 SLC6A2 (0.33) CYP1A2POLBCYP2D6CYP2C9
SCHEMBL24566578 0.65 PTPN1 (0.33)
SCHEMBL26844080 0.64 JAK2 (0.30)
SCHEMBL24393074 0.64 EGFR (0.40) CYP1A2POLBCYP2D6CYP2C9
SCHEMBL22054405 0.64 PIK3C3 (0.36)

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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CYP1A2 4570/4885POLB 4774/4885CYP2D6 4537/4885

“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.