SCHEMBL9894912

SCHEMBL9894912

Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CCN(C(=O)CO)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.38
CDK9 P50750 10/20 0.38
RBP4 P02753 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
CNR1 P21554 1/20 0.36
RET P07949 3/20 0.35
BRD4 O60885 1/20 0.34
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
SCHEMBL9894910 1.00 CCNT1 (0.38) CCNT1CDK9RBP4CDK4CCND1
SCHEMBL9898808 0.95 RBP4 (0.38) CCNT1CDK9RBP4CNR1RET
SCHEMBL9898805 0.95 RBP4 (0.38) CCNT1CDK9RBP4CNR1RET
SCHEMBL9898786 0.95 CDK4 (0.37) CCNT1CDK9RBP4CDK4CCND1
SCHEMBL9898788 0.95 CDK4 (0.37) CCNT1CDK9RBP4CDK4CCND1
SCHEMBL9897575 0.95 RBP4 (0.38) CCNT1CDK9RBP4CNR1RET
SCHEMBL9897574 0.95 RBP4 (0.38) CCNT1CDK9RBP4CNR1RET
SCHEMBL9896923 0.93 CCNT1 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9896925 0.93 CCNT1 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9895823 0.93 CCNT1 (0.38) CCNT1CDK9RBP4BRD4MGLL

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 641/4885RBP4 3017/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCNT1 1056/4885CDK9 808/4885RBP4 2168/4885

“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.