SCHEMBL1298482

SCHEMBL1298482

COc1ccc(F)cc1C(=O)c1nc(Cl)n2cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.47
KCNK9 Q9NPC2 8/20 0.47
CDK2 P24941 2/20 0.38
CDK4 P11802 1/20 0.38
PIN1 Q13526 3/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL1298812 0.88 CNR2 (0.44) KCNK3KCNK9CDK2CDK4LMNA
SCHEMBL1298642 0.78 KCNK3 (0.40) KCNK3KCNK9CDK2CDK4LMNA
SCHEMBL1298321 0.77 SMN1; SMN2 (0.44) CDK2LMNANPC1PKMRAB9A
SCHEMBL1299266 0.72 ALDH1A1 (0.40) LMNANPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL1299131 0.69 PTGS1 (0.45) NPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL1298563 0.68 MAPK1 (0.57) RAB9ASMN1; SMN2RXFP1
SCHEMBL30785076 0.67 MAPT (0.58) PIN1LMNANPC1PKMRAB9A
SCHEMBL5001832 0.67 CDK1 (0.45) CDK2CDK4PIN1SMN1; SMN2CHRNA7
SCHEMBL3835912 0.67 CDK1 (0.47) CDK2CDK4PIN1SMN1; SMN2CHRNA7
SCHEMBL8180872 0.67 PIN1 (0.50) KCNK3KCNK9PIN1LMNANPC1

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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 KCNK3 1283/4885KCNK9 2616/4885CDK2 157/4885

“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.