SCHEMBL12743755

SCHEMBL12743755

Nc1ncc(Cl)c(-c2cn(C[C@@H]3CCCO3)c3ccc(C4(O)CCCC4)cc23)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ P2RX7 Q99572 14/20 0.36
▸ IL1B P01584 13/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33

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
SCHEMBL12743220 0.86 CDK9 (0.36) CNR1CNR2P2RX7IL1BPIK3CA
SCHEMBL1614564 0.85 MAP3K14 (0.36) CNR1CNR2P2RX7IL1B
SCHEMBL1614565 0.85 MAP3K14 (0.36) CNR1CNR2P2RX7IL1B
SCHEMBL12743744 0.82 CNR2 (0.35) CNR1CNR2ALOX5AP
SCHEMBL12743904 0.81 CNR2 (0.37) CNR1CNR2
SCHEMBL12743900 0.80 DYRK1A (0.45) P2RX7IL1BALOX5AP
SCHEMBL12743739 0.79 GRIN2B (0.42) —
SCHEMBL12743917 0.78 KDM4C (0.33) P2RX7IL1BPIK3CA
SCHEMBL12743790 0.78 ICMT (0.34) —
SCHEMBL12742516 0.78 MAP4K1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CNR1 1667/4885CNR2 1549/4885P2RX7 3590/4885

“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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