SCHEMBL10464934

SCHEMBL10464934

COc1ncc2c(-c3cn(Cc4ccccc4)nn3)c[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 3/20 0.51
CDK12 Q9NYV4 3/20 0.51
KDR P35968 2/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
CDK2 P24941 3/20 0.45
CCNE1 P24864 2/20 0.45
EPHB4 P54760 2/20 0.44
TEK Q02763 2/20 0.44
CYP19A1 P11511 2/20 0.44
CDC7 O00311 3/20 0.44
JAK1 P23458 1/20 0.44
GSK3B P49841 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43

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
SCHEMBL10466551 0.83 CCNK (0.46) CCNKCDK12KDRPSEN1PSEN2
SCHEMBL10325990 0.79 CCNK (0.58) CCNKCDK12KDRCDK2CCNE1
SCHEMBL10325702 0.78 CCNK (0.49) CCNKCDK12KDRPSEN1PSEN2
SCHEMBL719570 0.77 CCNK (0.71) CCNKCDK12KDRCDK2CCNE1
SCHEMBL719125 0.76 CCNK (0.57) CCNKCDK12KDRPSEN1PSEN2
SCHEMBL2724281 0.73 CCNK (0.62) CCNKCDK12KDRCDK2CCNE1
SCHEMBL10325553 0.73 CDC7 (0.48) CCNKCDK12KDRPSEN1PSEN2
SCHEMBL286188 0.72 ALK (0.75) KDREPHB4TEK
SCHEMBL10104582 0.70 ALK (0.58) CCNKCDK12
SCHEMBL2733285 0.70 MAPK1 (0.59) CCNKCDK12KDREPHB4TEK

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-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US claimed
EP-2663566-B1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-03 EP claimed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US claimed
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
EP-2663566-B1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
EP-2663566-B1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
WO-2012095142-A1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-19 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-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PDK1, PDK2, PDK3 CCNK 14/4885CDK12 64/4885KDR 779/4885

“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.