SCHEMBL1438652

SCHEMBL1438652

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.34
PIK3CA P42336 3/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
PIK3R1 P27986 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
RIPK1 Q13546 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
SCHEMBL1438651 1.00 PIK3CD (0.34) PIK3CDPIK3CACCNT1CDK9PIK3R1
SCHEMBL1438599 0.97 PIK3CD (0.34) PIK3CDPIK3CACCNT1CDK9PIK3R1
SCHEMBL1438597 0.97 PIK3CD (0.34) PIK3CDPIK3CACCNT1CDK9PIK3R1
SCHEMBL9899281 0.95 CCNT1 (0.33) PIK3CDCCNT1CDK9FFAR4HTR2A
SCHEMBL9899280 0.95 CCNT1 (0.33) PIK3CDCCNT1CDK9FFAR4HTR2A
SCHEMBL1440466 0.94 CNR1 (0.31) CCNT1CDK9FFAR4
SCHEMBL9898443 0.94 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1FFAR4PIK3CB
SCHEMBL9898445 0.94 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1FFAR4PIK3CB
SCHEMBL9897157 0.94 CNR1 (0.31) CCNT1CDK9FFAR4
SCHEMBL9897221 0.94 ERBB2 (0.32) CCNT1CDK9FFAR4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO 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
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US disclosed
WO-2011023693-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO 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 PIK3CD 888/4885PIK3CA 691/4885CCNT1 1073/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PIK3CD 1051/4885PIK3CA 818/4885CCNT1 1056/4885

“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.