SCHEMBL8963872

SCHEMBL8963872

CNC(=O)c1ccc(C(=O)c2cccnc2N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.47
PRKCI P41743 2/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
VCP P55072 4/20 0.41
P2RX7 Q99572 1/20 0.40
HDAC1 Q13547 2/20 0.39
MITF O75030 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL8179072 0.83 PRKCI (0.68) NAPRTPRKCINPC1RAB9AKDM4E
SCHEMBL27794490 0.81 MAPT (0.46) PRKCINPC1RAB9AKDM4EHPGD
SCHEMBL1232303 0.80 PRKCI (0.63) NAPRTPRKCIVCPP2RX7TYK2
SCHEMBL9007586 0.78 HDAC3 (0.54) PRKCINPC1RAB9AKDM4EHPGD
Trifluoroacetic Acid SCHEMBL1481026 0.77 PRKCI (0.60) NAPRTPRKCINPC1RAB9AKDM4E
SCHEMBL8963999 0.76 PRKCI (0.51) NAPRTPRKCINPC1RAB9AVCP
SCHEMBL8198020 0.75 NAPRT (0.73) NAPRTPRKCIKDM4EALDH1A1P2RX7
SCHEMBL8963797 0.75 PRKCQ (0.49) NAPRTNPC1RAB9AKDM4EHPGD
SCHEMBL8964314 0.73 HDAC3 (0.54) NAPRTHPGDALDH1A1HDAC1HDAC3
SCHEMBL12216734 0.73 KDM4E (0.62) NPC1RAB9AKDM4EHPGDALDH1A1

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 10 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
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 NAPRT 1808/4885PRKCI 30/4885NPC1 1348/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885PRKCI 30/4885NPC1 1348/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 NAPRT 1808/4885PRKCI 30/4885NPC1 1348/4885

“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.