SCHEMBL9897157

SCHEMBL9897157

COCC(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL1440466 1.00 CNR1 (0.31) CNR1CCNT1CDK9FFAR4
SCHEMBL1439577 0.97 RIPK1 (0.31) CNR1CCNT1CDK9FFAR4
SCHEMBL1439576 0.97 RIPK1 (0.31) CNR1CCNT1CDK9FFAR4
SCHEMBL9899281 0.95 CCNT1 (0.33) CNR1CCNT1CDK9FFAR4
SCHEMBL9899280 0.95 CCNT1 (0.33) CNR1CCNT1CDK9FFAR4
SCHEMBL9896630 0.95 PIK3CD (0.33) CNR1FFAR4
SCHEMBL9896631 0.95 PIK3CD (0.33) CNR1FFAR4
SCHEMBL1438651 0.94 PIK3CD (0.34) CCNT1CDK9FFAR4
SCHEMBL1438652 0.94 PIK3CD (0.34) CCNT1CDK9FFAR4
SCHEMBL1441923 0.93 CCNT1 (0.33) CNR1CCNT1CDK9FFAR4

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 CNR1 3069/4885CCNT1 1073/4885CDK9 641/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CNR1 3001/4885CCNT1 1056/4885CDK9 808/4885

“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.