SCHEMBL9896941

SCHEMBL9896941

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.36
CDK9 P50750 7/20 0.36
CNR1 P21554 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
RBP4 P02753 2/20 0.34
RET P07949 2/20 0.33
CNR2 P34972 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GALR2 O43603 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9896944 1.00 CCNT1 (0.36) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9897083 0.95 KDM5A (0.35) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9897080 0.95 KDM5A (0.35) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9898788 0.94 CDK4 (0.37) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9898786 0.94 CDK4 (0.37) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9898133 0.94 CNR1 (0.35) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9898131 0.94 CNR1 (0.35) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL9898435 0.93 KDM5A (0.36) CCNT1CDK9CNR1KDM5AKDM4C
SCHEMBL16224140 0.93 KDM5A (0.37) CNR1KDM5AKDM4CRBP4RET
SCHEMBL9898437 0.93 KDM5A (0.36) CCNT1CDK9CNR1KDM5AKDM4C

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 641/4885CNR1 3069/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885CNR1 3001/4885

“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.