SCHEMBL10104608

SCHEMBL10104608

COc1ccnc2c1c(-c1cn(Cc3ccccc3)nn1)cn2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 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
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL10072164 0.84 KDM4A (0.44) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL718773 0.83 CCNK (0.44) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL15348638 0.81 EGLN1 (0.40) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL10463930 0.78 KDM4A (0.42) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL719178 0.76 KDM1A (0.45) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL719766 0.74 KDR (0.49) EGLN1CDC7KDRGSK3BCLK4
SCHEMBL719125 0.73 CCNK (0.57) EGLN1CCNKCDK12PSEN1PSEN2
SCHEMBL2722435 0.72 KDM4A (0.42) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL285634 0.72 CCNK (0.42) EGLN1KDM4AKDM5CKDM4CKDM2A
SCHEMBL10104606 0.71 CFTR (0.36) CDK2GSK3BPDPK1CDK1LYN

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-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-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 EGLN1 1168/4885KDM4A 1427/4885KDM5C 2268/4885

“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.