SCHEMBL16041111

SCHEMBL16041111

CC1(C)OB(c2ccnc3[nH]c(C4CCCCC4)cc23)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 15/20 0.47
CCNT1 O60563 14/20 0.47
CSF1R P07333 4/20 0.46
MAPK14 Q16539 1/20 0.40
CASP3 P42574 2/20 0.39
CASP7 P55210 2/20 0.39
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37

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
SCHEMBL30134984 0.94 CDK9 (0.41) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL16041569 0.87 CCNT1 (0.51) CDK9CCNT1CASP3CASP7
SCHEMBL16040849 0.81 CDK9 (0.50) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL16040242 0.80 CCNT1 (0.51) CDK9CCNT1
SCHEMBL30381424 0.78 CCNK (0.52) CDK9CCNT1CASP3CASP7
SCHEMBL16041973 0.78 CCNK (0.52) CDK9CCNT1CASP3CASP7
SCHEMBL16040721 0.78 CDK12 (0.54) CDK9CCNT1CASP3CASP7CDK1
SCHEMBL21428757 0.77 IKBKB (0.39)
SCHEMBL22537892 0.74 SNCA (0.36)
SCHEMBL30135066 0.73 IKBKB (0.38) MAPK14

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
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
EP-2970264-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
WO-2014151444-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-25 WO disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 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 (2 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDK9 1/4885CCNT1 36/4885CSF1R 2243/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CDK9 1/4885CCNT1 36/4885CSF1R 3021/4885

“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.