SCHEMBL8963499

SCHEMBL8963499

Cc1ccsc1C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 1/20 0.50
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PRKCQ Q04759 1/20 0.44
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HSD17B14 Q9BPX1 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FABP6 P51161 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL8964240 0.89 KMT2A (0.45) SIGLEC9ALDH1A1KDM4ESMN1; SMN2PRKCQ
SCHEMBL8964213 0.84 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2PRKCQNPC1
SCHEMBL8964216 0.84 GBA1 (0.55) ALDH1A1KDM4ESMN1; SMN2PRKCQFABP6
SCHEMBL8963556 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2PRKCQKMT2A
SCHEMBL8963072 0.83 PRKCQ (0.48) ALDH1A1KDM4ESMN1; SMN2PRKCQKMT2A
SCHEMBL8969722 0.82 PRKCQ (0.68) ALDH1A1KDM4EPRKCQ
SCHEMBL8964239 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2PRKCQKMT2A
SCHEMBL8964435 0.81 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2PRKCQHSD17B14
SCHEMBL8963321 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2PRKCQKMT2A
SCHEMBL8964208 0.81 PRKCQ (0.64) ALDH1A1KDM4ESMN1; SMN2PRKCQKMT2A

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 SIGLEC9 4697/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SIGLEC9 4697/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SIGLEC9 4697/4885ALDH1A1 4211/4885KDM4E 990/4885

“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.