SCHEMBL984240

SCHEMBL984240

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
NPY5R Q15761 1/20 0.40
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RBP4 P02753 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAP4K4 O95819 1/20 0.35
MDM4 O15151 1/20 0.35
SSTR5 P35346 1/20 0.35
MGLL Q99685 3/20 0.35
JAK1 P23458 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL985719 0.95 EPHX2 (0.40) EPHX2NPY5RHSD17B10KMT2AMEN1
SCHEMBL983530 0.93 BTK (0.40) NPY5RHSD17B10KMT2AMEN1RBP4
SCHEMBL986300 0.92 CDK9 (0.39) NPY5RHSD17B10KMT2AMEN1RBP4
SCHEMBL984654 0.90 EPHX2 (0.37) EPHX2NPY5RHSD17B10KMT2AMEN1
SCHEMBL981824 0.89 TP53 (0.43) KMT2AMEN1
SCHEMBL981843 0.89 EPHX2 (0.38) EPHX2NPY5RKMT2AMEN1MDM4
SCHEMBL984897 0.89 EPHX2 (0.38) EPHX2NPY5RKMT2AMEN1MDM4
SCHEMBL986177 0.88 CCNT1 (0.40) HSD17B10KMT2AMEN1RBP4HTR7
SCHEMBL981954 0.87 BTK (0.40) NPY5RHSD17B10KMT2AMEN1RBP4
SCHEMBL986391 0.87 CDK9 (0.41) KMT2AKDM5AKDM4C

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 EPHX2 594/4885NPY5R 289/4885HSD17B10 1482/4885

“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.