SCHEMBL4505391

SCHEMBL4505391

CCNc1cc(Cc2nc(Nc3cc(F)c(F)c(F)c3)nn2CCO)ccn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.34
▸ MAPK12 P53778 2/20 0.34
▸ MAPK11 Q15759 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ MAPT P10636 1/20 0.31
▸ GPR52 Q9Y2T5 2/20 0.30
▸ SYK P43405 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL828648 0.72 MAPK14 (0.36) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL827829 0.72 MAPK14 (0.36) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL23021737 0.63 RECQL (0.48) MAPT
SCHEMBL827781 0.63 ROCK2 (0.37) SYK
SCHEMBL9771729 0.62 KDM4D (0.43) —
SCHEMBL828647 0.61 MAPK14 (0.34) MAPK13MAPK12MAPK11MAPK14
SCHEMBL10444896 0.60 NOS2 (0.52) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3781770 0.60 MAPK1 (0.33) P2RX7
SCHEMBL3434426 0.60 MAPK1 (0.33) P2RX7
SCHEMBL14076715 0.60 NOS2 (0.42) MAPK13MAPK12MAPK11MAPK14MAPT

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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 — — 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-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 MAPK13 2885/4885MAPK12 2358/4885MAPK11 1732/4885

“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.

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