SCHEMBL9895822

SCHEMBL9895822

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.38
CDK9 P50750 7/20 0.38
RBP4 P02753 1/20 0.37
BRD4 O60885 1/20 0.36
MGLL Q99685 4/20 0.35
TBK1 Q9UHD2 6/20 0.34
JAK2 O60674 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL9896923 1.00 CCNT1 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9896925 1.00 CCNT1 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9895823 1.00 CCNT1 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL16224262 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9897341 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9897344 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9897198 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9897200 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9896234 0.95 RBP4 (0.38) CCNT1CDK9RBP4BRD4MGLL
SCHEMBL9896793 0.95 RBP4 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.