SCHEMBL14235607

SCHEMBL14235607

COc1ccc(NC(=O)c2cc(NC(C)C)n[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACR P10323 1/20 0.53
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ TP53 P04637 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPT P10636 5/20 0.51
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ XDH P47989 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ ALPL P05186 1/20 0.46

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
SCHEMBL14235361 0.87 MAPT (0.58) ACRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL12643803 0.86 MEN1 (0.52) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL14235818 0.86 ACR (0.56) ACRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL14235355 0.85 SMN1; SMN2 (0.48) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14236036 0.84 ADORA3 (0.50) ACRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3222703 0.75 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL28617518 0.73 MEN1 (0.59) ACRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL14235829 0.73 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14213415 0.73 HCAR3 (0.48) ACRSMN1; SMN2ALPL
SCHEMBL14213418 0.73 HCAR3 (0.50) ACRNPC1RAB9ATP53SMN1; SMN2

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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 — — 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 ACR 4331/4885NPC1 2683/4885RAB9A 1699/4885

“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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