SCHEMBL9897508

SCHEMBL9897508

CC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.36
CDK9 P50750 5/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CNR1 P21554 1/20 0.36
CCNT1 O60563 4/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
ACKR3 P25106 2/20 0.34
RBP4 P02753 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GALR2 O43603 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9897511 1.00 RET (0.36) RETCDK9CASP3CASP7CNR1
SCHEMBL9895872 0.95 CDK9 (0.38) RETCDK9CASP3CASP7CNR1
SCHEMBL9895874 0.95 CDK9 (0.38) RETCDK9CASP3CASP7CNR1
SCHEMBL16223974 0.94 RET (0.36) RETCNR1KDM5AKDM4CCDK4
SCHEMBL16223973 0.94 RET (0.36) RETCNR1KDM5AKDM4CCDK4
SCHEMBL9898435 0.94 KDM5A (0.36) RETCDK9CASP3CASP7CNR1
SCHEMBL9898437 0.94 KDM5A (0.36) RETCDK9CASP3CASP7CNR1
SCHEMBL9896244 0.94 RBP4 (0.36) RETCDK9CNR1CCNT1KDM5A
SCHEMBL9896243 0.94 RBP4 (0.36) RETCDK9CNR1CCNT1KDM5A
SCHEMBL9898786 0.93 CDK4 (0.37) RETCDK9CNR1CCNT1KDM5A

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 RET 1743/4885CDK9 641/4885CASP3 1037/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A RET 1782/4885CDK9 808/4885CASP3 1007/4885

“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.