SCHEMBL9897783

SCHEMBL9897783

CC(=O)N1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.41
HSD17B10 Q99714 1/20 0.38
CDK9 P50750 4/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNT1 O60563 3/20 0.37
KDM5A P29375 4/20 0.36
KDM4C Q9H3R0 1/20 0.36
NTRK1 P04629 1/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
RBP4 P02753 1/20 0.35
CNR2 P34972 1/20 0.35
SSTR5 P35346 1/20 0.35
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL9898029 0.95 OPRL1 (0.41) OPRL1HSD17B10CDK9CASP3CASP7
SCHEMBL9898099 0.95 OPRL1 (0.40) OPRL1HSD17B10CDK9CASP3CASP7
SCHEMBL9897942 0.94 HSD17B10 (0.38) OPRL1HSD17B10MEN1KMT2AKDM5A
SCHEMBL9898291 0.93 PIK3CD (0.38) HSD17B10MEN1KMT2AKDM5AKDM4C
SCHEMBL9896142 0.93 RBP4 (0.37) HSD17B10CDK9MEN1KMT2ACCNT1
SCHEMBL9897144 0.91 RBP4 (0.38) HSD17B10CDK9MEN1KMT2ACCNT1
SCHEMBL9898310 0.91 HSD17B10 (0.38) HSD17B10MEN1KMT2AKDM5AKDM4C
SCHEMBL9895692 0.91 HPGDS (0.39) HSD17B10KDM5A
SCHEMBL9896101 0.91 HSD17B10 (0.40) OPRL1HSD17B10MEN1KMT2AKDM5A
SCHEMBL9895598 0.91 USP30 (0.46) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A OPRL1 3352/4885HSD17B10 1588/4885CDK9 641/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A OPRL1 4334/4885HSD17B10 2453/4885CDK9 808/4885

“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.