SCHEMBL9896142

SCHEMBL9896142

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)CO)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.37
CCNT1 O60563 5/20 0.37
CDK9 P50750 5/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SSTR5 P35346 1/20 0.35
KDM5A P29375 4/20 0.35
KDM4C Q9H3R0 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
TBK1 Q9UHD2 4/20 0.34
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
SCHEMBL9897540 0.96 CCNT1 (0.39) RBP4CCNT1CDK9HSD17B10MEN1
SCHEMBL9897585 0.95 CCNT1 (0.40) RBP4CCNT1CDK9HSD17B10MEN1
SCHEMBL9898291 0.95 PIK3CD (0.38) RBP4HSD17B10MEN1KMT2AKDM5A
SCHEMBL9897144 0.94 RBP4 (0.38) RBP4CCNT1CDK9HSD17B10MEN1
SCHEMBL9897942 0.93 HSD17B10 (0.38) RBP4HSD17B10MEN1KMT2ASSTR5
SCHEMBL9897783 0.93 OPRL1 (0.41) RBP4CCNT1CDK9HSD17B10MEN1
SCHEMBL9897834 0.91 TBK1 (0.41) CCNT1CDK9HSD17B10KDM5ATBK1
SCHEMBL9898788 0.91 CDK4 (0.37) RBP4CCNT1CDK9KDM5AKDM4C
SCHEMBL9898786 0.91 CDK4 (0.37) RBP4CCNT1CDK9KDM5AKDM4C
SCHEMBL9897496 0.90 EPHX2 (0.40) RBP4CCNT1CDK9HSD17B10MEN1

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 RBP4 3017/4885CCNT1 1073/4885CDK9 641/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RBP4 2168/4885CCNT1 1056/4885CDK9 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.