SCHEMBL9895872

SCHEMBL9895872

CC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)C(O)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.38
CCNT1 O60563 8/20 0.38
RET P07949 5/20 0.36
CNR1 P21554 1/20 0.35
RBP4 P02753 1/20 0.35
BRD4 O60885 1/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
MGLL Q99685 2/20 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
SCHEMBL9895874 1.00 CDK9 (0.38) CDK9CCNT1RETCNR1RBP4
SCHEMBL9897508 0.95 RET (0.36) CDK9CCNT1RETCNR1RBP4
SCHEMBL9897511 0.95 RET (0.36) CDK9CCNT1RETCNR1RBP4
SCHEMBL10002341 0.94 RBP4 (0.36) CDK9CCNT1RETCNR1RBP4
SCHEMBL10002345 0.94 RBP4 (0.36) CDK9CCNT1RETCNR1RBP4
SCHEMBL9898808 0.94 RBP4 (0.38) CDK9CCNT1RETCNR1RBP4
SCHEMBL9898805 0.94 RBP4 (0.38) CDK9CCNT1RETCNR1RBP4
SCHEMBL9894910 0.93 CCNT1 (0.38) CDK9CCNT1RETCNR1RBP4
SCHEMBL9894912 0.93 CCNT1 (0.38) CDK9CCNT1RETCNR1RBP4
SCHEMBL9896397 0.93 CDK9 (0.38) CDK9CCNT1RBP4BRD4CASP3

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 CDK9 641/4885CCNT1 1073/4885RET 1743/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CDK9 808/4885CCNT1 1056/4885RET 1782/4885

“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.