SCHEMBL11977044

SCHEMBL11977044

CCC(C(N)=O)n1ccc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.57
ALK Q9UM73 1/20 0.55
JAK2 O60674 2/20 0.53
BRD4 O60885 2/20 0.53

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
SCHEMBL11977037 0.92 ALK (0.56) SYKALKJAK2BRD4
SCHEMBL11977036 0.90 CDK4 (0.54) SYKALKJAK2BRD4
SCHEMBL7706847 0.89 ALK (0.58) SYKALKJAK2BRD4
SCHEMBL11977051 0.88 CDK4 (0.56) SYKJAK2BRD4
SCHEMBL11977039 0.88 JAK3 (0.58) SYKALKJAK2BRD4
SCHEMBL11977041 0.84 JAK3 (0.52) SYKALKJAK2BRD4
SCHEMBL7713887 0.84 SYK (0.55) SYKALKJAK2BRD4
SCHEMBL11977046 0.82 JAK3 (0.56) SYKALKJAK2BRD4
SCHEMBL11977040 0.82 CDK4 (0.53) SYKALKJAK2BRD4
SCHEMBL11977054 0.81 SYK (0.55) SYKALKJAK2BRD4

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
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP SYK 1001/4885ALK 794/4885JAK2 494/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP SYK 1001/4885ALK 794/4885JAK2 494/4885

“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.