SCHEMBL9103301

SCHEMBL9103301

Cc1[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc2c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 10/20 0.44
CDK9 P50750 10/20 0.44
BRD4 O60885 1/20 0.43
IDO1 P14902 1/20 0.43
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40

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
SCHEMBL9101711 0.93 PARP1 (0.42) BRD4PARP1L3MBTL1CCNCCDK8
SCHEMBL9106967 0.91 MEN1 (0.43) PARP1L3MBTL1CCNCCDK8HASPIN
SCHEMBL9104266 0.90 CDK9 (0.47) CCNT1CDK9BRD4MEN1KMT2A
SCHEMBL9103993 0.90 CCNT1 (0.42) CCNT1CDK9BRD4MEN1KMT2A
SCHEMBL9101391 0.90 SCN9A (0.41) CCNT1CDK9BRD4PARP1L3MBTL1
SCHEMBL9101704 0.90 USP30 (0.41) CCNT1CDK9BRD4PARP1L3MBTL1
SCHEMBL9895631 0.89 BRD4 (0.42) CCNT1CDK9BRD4IDO1PARP1
SCHEMBL9103135 0.89 CCNT1 (0.49) CCNT1CDK9MEN1KMT2A
SCHEMBL9103325 0.89 CCNT1 (0.44) CCNT1CDK9BRD4MEN1KMT2A
SCHEMBL9103928 0.88 CCNT1 (0.45) CCNT1CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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 (1 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A CCNT1 1888/4885CDK9 1048/4885BRD4 465/4885

“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.