SCHEMBL8963406

SCHEMBL8963406

N#CCC(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRKCQ Q04759 3/20 0.42
HSD17B14 Q9BPX1 2/20 0.41
DPP4 P27487 1/20 0.38
PRKCA P17252 2/20 0.38
PRKCD Q05655 2/20 0.38
CFTR P13569 1/20 0.38
MAPK8 P45983 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8963489 0.87 CKS1B (0.47) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963362 0.85 ALDH1A1 (0.46) JAK2JAK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8963437 0.85 PRKCQ (0.44) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963478 0.85 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963368 0.85 PRKCQ (0.44) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963547 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963422 0.85 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963072 0.84 PRKCQ (0.48) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963254 0.84 PRKCQ (0.46) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963417 0.83 PRKCQ (0.46) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 JAK2 133/4885JAK1 100/4885TYK2 460/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 JAK2 133/4885JAK1 100/4885TYK2 460/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 JAK2 133/4885JAK1 100/4885TYK2 460/4885

“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.