SCHEMBL9897057

SCHEMBL9897057

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CNR1 P21554 1/20 0.33
RET P07949 3/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CCND3 P30281 2/20 0.32
CDK6 Q00534 2/20 0.32
KDM2B Q8NHM5 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
ACKR3 P25106 4/20 0.32
TBK1 Q9UHD2 3/20 0.31
KDM4E B2RXH2 1/20 0.31
GALR2 O43603 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL9898020 1.00 KDM5A (0.34) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9897054 1.00 KDM5A (0.34) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9898023 1.00 KDM5A (0.34) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9898545 0.94 CDK4 (0.36) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9897879 0.94 CDK4 (0.36) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9897881 0.94 CDK4 (0.36) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9898549 0.94 CDK4 (0.36) KDM5AKDM4CCNR1RETCDK4
SCHEMBL9895260 0.92 CNR1 (0.35) CNR1RETTBK1KDM4ELMNA
SCHEMBL9895258 0.92 CNR1 (0.35) CNR1RETTBK1KDM4ELMNA
SCHEMBL9897143 0.92 CNR1 (0.35) CNR1RETTBK1KDM4ELMNA

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 KDM5A 83/4885KDM4C 161/4885CNR1 3069/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM5A 69/4885KDM4C 134/4885CNR1 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.