SCHEMBL718773

SCHEMBL718773

CC(C)(C)OC(=O)n1cc(-c2cn(Cc3ccccc3)nn2)c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.42
EGLN1 Q9GZT9 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SCD O00767 1/20 0.40

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
SCHEMBL719178 0.92 KDM1A (0.45) CCNKCDK12EGLN1MEN1KMT2A
SCHEMBL10072164 0.87 KDM4A (0.44) CCNKCDK12KDM4AKDM5CKDM4C
SCHEMBL10463930 0.87 KDM4A (0.42) CCNKCDK12KDM4AKDM5CKDM4C
SCHEMBL27850091 0.87 CCNK (0.49) CCNKCDK12KDM4AKDM5CKDM4C
SCHEMBL285634 0.86 CCNK (0.42) CCNKCDK12KDM4AKDM5CKDM4C
SCHEMBL10104608 0.83 EGLN1 (0.44) CCNKCDK12KDM4AKDM5CKDM4C
SCHEMBL719766 0.81 KDR (0.49) EGLN1CDC7GSK3BHDAC8
SCHEMBL27959619 0.80 PTGDR2 (0.43) CCNKCDK12KDM4AKDM5CKDM4C
SCHEMBL294699 0.79 KDM1A (0.40) CCNKCDK12EGLN1MEN1KMT2A
SCHEMBL15348638 0.77 EGLN1 (0.40) CCNKCDK12KDM4AKDM5CKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427461-B1 3-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 WO 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-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives PDK1, PDK2, PDK3 CCNK 30/4885CDK12 68/4885KDM4A 1427/4885

“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.