SCHEMBL9897540

SCHEMBL9897540

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)NC1CCN(C(=O)CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SSTR5 P35346 1/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TBK1 Q9UHD2 5/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MKNK2 Q9HBH9 1/20 0.35
RBP4 P02753 1/20 0.35
MGLL Q99685 3/20 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
SCHEMBL9896142 0.96 RBP4 (0.37) CCNT1CDK9HSD17B10MEN1KMT2A
SCHEMBL9897496 0.95 EPHX2 (0.40) CCNT1CDK9HSD17B10MEN1KMT2A
SCHEMBL1439111 0.94 HSD17B10 (0.38) CCNT1CDK9HSD17B10MEN1KMT2A
SCHEMBL9898029 0.92 OPRL1 (0.41) CCNT1CDK9HSD17B10MEN1KMT2A
SCHEMBL9896101 0.92 HSD17B10 (0.40) HSD17B10MEN1KMT2ASSTR5KDM5A
SCHEMBL9897342 0.91 TBK1 (0.43) CCNT1CDK9HSD17B10KMT2ATBK1
SCHEMBL9897585 0.91 CCNT1 (0.40) CCNT1CDK9HSD17B10MEN1KMT2A
SCHEMBL9898291 0.90 PIK3CD (0.38) HSD17B10MEN1KMT2AKDM5AKDM4C
SCHEMBL9895641 0.90 LMNA (0.35) CCNT1CDK9HSD17B10MEN1KMT2A
SCHEMBL9897144 0.90 RBP4 (0.38) CCNT1CDK9HSD17B10MEN1KMT2A

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 CCNT1 1073/4885CDK9 641/4885HSD17B10 1588/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885HSD17B10 2453/4885

“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.