SCHEMBL4290436

SCHEMBL4290436

Cc1ccc(N)cc1Cn1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.62
CYP11B2 P19099 11/20 0.62
CYP19A1 P11511 4/20 0.49
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL3434953 0.88 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1KDM4EHSD17B10
SCHEMBL30168127 0.88 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1KDM4EHSD17B10
SCHEMBL5849720 0.84 CYP11B1 (0.66) CYP11B1CYP11B2CYP19A1KDM4EHSD17B10
SCHEMBL5610972 0.84 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1POLB
SCHEMBL5610709 0.81 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1KDM4EHSD17B10
SCHEMBL5592277 0.81 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1KDM4EPOLB
SCHEMBL14473080 0.81 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1ALDH1A1POLB
SCHEMBL14473081 0.81 CYP11B1 (0.53) CYP11B1CYP11B2CYP19A1ALDH1A1POLB
SCHEMBL3401688 0.80 KMT2A (0.48) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
SCHEMBL5592268 0.79 IDH1 (0.55) CYP11B1CYP11B2CYP19A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981036-B Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2013-09-04 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
CN-101981036-A Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors NOVARTIS AG 2011-02-23 CN disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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 (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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 CYP11B1 224/4885CYP11B2 205/4885CYP19A1 553/4885

“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.