SCHEMBL985719

SCHEMBL985719

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RBP4 P02753 2/20 0.38
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 4/20 0.38
NPY5R Q15761 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
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
MAP4K4 O95819 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL984240 0.95 EPHX2 (0.40) EPHX2MEN1KMT2ARBP4HSD17B10
SCHEMBL986177 0.93 CCNT1 (0.40) MEN1KMT2ARBP4BRD4HSD17B10
SCHEMBL981954 0.93 BTK (0.40) MEN1KMT2ARBP4BRD4HSD17B10
SCHEMBL982969 0.92 BRD4 (0.39) MEN1KMT2ARBP4BRD4HSD17B10
SCHEMBL982027 0.90 BRD4 (0.37) EPHX2MEN1KMT2ARBP4BRD4
SCHEMBL984898 0.89 GRIN1 (0.40) MEN1KMT2ABRD4GRIN1GRIN2B
SCHEMBL981788 0.89 BRD4 (0.43) MEN1KMT2ARBP4BRD4
SCHEMBL984654 0.89 EPHX2 (0.37) EPHX2MEN1KMT2AHSD17B10NPY5R
SCHEMBL984897 0.88 EPHX2 (0.38) EPHX2MEN1KMT2ANPY5R
SCHEMBL981843 0.88 EPHX2 (0.38) EPHX2MEN1KMT2ANPY5R

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 594/4885MEN1 2783/4885KMT2A 2975/4885

“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.