SCHEMBL9898445

SCHEMBL9898445

CCC(=O)N1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.38
PIK3CA P42336 5/20 0.36
PIK3R1 P27986 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
CCND3 P30281 4/20 0.33
CDK6 Q00534 4/20 0.33
RET P07949 2/20 0.33
HTR4 Q13639 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL9898443 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL9896876 0.97 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL9896875 0.97 PIK3CD (0.38) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL9897661 0.95 CDK4 (0.37) PIK3CDPIK3CACDK4CCND1CCND3
SCHEMBL9897662 0.95 CDK4 (0.37) PIK3CDPIK3CACDK4CCND1CCND3
SCHEMBL9896630 0.95 PIK3CD (0.33) PIK3CDPIK3CACDK4CCND1CCND3
SCHEMBL9896631 0.95 PIK3CD (0.33) PIK3CDPIK3CACDK4CCND1CCND3
SCHEMBL1438651 0.94 PIK3CD (0.34) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1438652 0.94 PIK3CD (0.34) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL9897153 0.94 CDK4 (0.35) PIK3CDCDK4CCND1CCND3CDK6

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 PIK3CD 888/4885PIK3CA 691/4885PIK3R1 2369/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PIK3CD 1051/4885PIK3CA 818/4885PIK3R1 2243/4885

“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.