SCHEMBL986300

SCHEMBL986300

CC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
OPRL1 P41146 3/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KMT2A Q03164 2/20 0.37
NPY5R Q15761 1/20 0.37
MEN1 O00255 1/20 0.37
RBP4 P02753 1/20 0.36
MDM4 O15151 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CCNT1 O60563 1/20 0.36
CD38 P28907 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL982969 0.95 BRD4 (0.39) CDK9CASP3CASP7OPRL1HSD17B10
SCHEMBL984240 0.92 EPHX2 (0.40) HSD17B10KDM5AKDM4CKMT2ANPY5R
SCHEMBL984600 0.91 BTK (0.40) KDM5AKMT2AMEN1MDM4HTR7
SCHEMBL983530 0.91 BTK (0.40) CDK9HSD17B10KDM5AKDM4CKMT2A
SCHEMBL984587 0.91 HPGDS (0.44) MDM4CD38IRAK4
SCHEMBL986391 0.90 CDK9 (0.41) CDK9CASP3CASP7KDM5AKDM4C
SCHEMBL985350 0.90 CDK9 (0.41) CDK9CASP3CASP7KDM5AKDM4C
SCHEMBL981824 0.90 TP53 (0.43) KMT2AMEN1
SCHEMBL985732 0.89 KDR (0.37) NPY5RCD38IRAK4MAP3K6MAP3K5
SCHEMBL982064 0.89 MAP3K5 (0.37) CDK9CASP3CASP7KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK9 639/4885CASP3 1097/4885CASP7 1871/4885

“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.