SCHEMBL8963797

SCHEMBL8963797

CN1CCN(C(=O)c2ccc(C(=O)c3cccnc3N)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 2/20 0.45
HRH4 Q9H3N8 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
HTT P42858 1/20 0.41
DUSP3 P51452 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8963909 0.82 PRKCQ (0.53) PRKCQALDH1A1HSD17B10RECQLKMT2A
SCHEMBL8963872 0.75 NAPRT (0.47) PRKCQALDH1A1KDM4ENPC1RAB9A
SCHEMBL13857106 0.72 PRKCQ (0.45) PRKCQHRH4HRH3NAPRTPIK3C3
SCHEMBL28382554 0.70 NAPRT (0.56) ALDH1A1KDM4ERECQLKMT2AHPGD
SCHEMBL4264795 0.69 NAPRT (0.54) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL28326660 0.69 NAPRT (0.54) ALDH1A1KDM4ERECQLKMT2AHPGD
SCHEMBL8179072 0.69 PRKCI (0.68) ALDH1A1KDM4ENPC1RAB9AKMT2A
SCHEMBL8198020 0.69 NAPRT (0.73) PRKCQALDH1A1KDM4EMAPTALOX15
SCHEMBL8965507 0.69 PRKCQ (0.91) PRKCQHRH4HRH3PRKCAPRKCD
SCHEMBL12121414 0.69 HPGD (0.62) ALDH1A1KDM4ENPC1RAB9AHRH4

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 9 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-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-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-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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 PRKCQ 38/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 4211/4885KDM4E 990/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885ALDH1A1 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.