SCHEMBL982969

SCHEMBL982969

CC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CDK9 P50750 4/20 0.38
CCNT1 O60563 3/20 0.38
OPRL1 P41146 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RBP4 P02753 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
MAPK14 Q16539 1/20 0.37
MGLL Q99685 3/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
CD38 P28907 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL986300 0.95 CDK9 (0.39) CDK9CCNT1OPRL1KMT2AMEN1
SCHEMBL985719 0.92 EPHX2 (0.40) BRD4CDK9CCNT1KMT2AMEN1
SCHEMBL986177 0.92 CCNT1 (0.40) BRD4CDK9CCNT1KMT2AMEN1
SCHEMBL981807 0.92 MDM4 (0.38) KMT2AMEN1HSD17B10CD38IRAK4
SCHEMBL981954 0.91 BTK (0.40) BRD4CDK9CCNT1KMT2AMEN1
SCHEMBL982027 0.91 BRD4 (0.37) BRD4KMT2AMEN1RBP4HSD17B10
SCHEMBL981754 0.91 MCHR1 (0.37) BRD4CD38IRAK4
SCHEMBL984446 0.91 BTK (0.40) BRD4CDK9CCNT1KMT2ACASP3
SCHEMBL984600 0.91 BTK (0.40) KMT2AMEN1HTR7CD38IRAK4
SCHEMBL981788 0.90 BRD4 (0.43) BRD4KMT2AMEN1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A BRD4 1299/4885CDK9 639/4885CCNT1 807/4885

“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.