SCHEMBL2768635

SCHEMBL2768635

Nc1nc(-c2ccncc2)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.70
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
MAPT P10636 5/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 3/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CA12 O43570 1/20 0.51

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
SCHEMBL3407155 0.83 NOTUM (1.00) NOTUMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22761306 0.80 SMN1; SMN2 (0.51) NOTUMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5959967 0.80 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL24061386 0.79 NOTUM (0.66) NOTUMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18977807 0.79 NOTUM (0.66) NOTUMSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31215052 0.79 NOTUM (0.66) NOTUMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9233042 0.79 CHRNB2 (0.69) NOTUMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27001784 0.79 NPC1 (0.72) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL12765951 0.77 CDK2 (0.49) NOTUMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15088383 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751133-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-04-14 EP disclosed
US-7531556-B2 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
EP-1751133-A2 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-14 EP disclosed
US-20060019956-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US disclosed
WO-2005105780-A2 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-10 WO disclosed
EP-0641797-A1 Cephem derivatives and antimicrobial agents containing the same KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1995-03-08 EP 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-20060019956-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH NOTUM 2577/4885SMN1; SMN2 1581/4885NPC1 1991/4885

“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.