SCHEMBL9897221

SCHEMBL9897221

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CN(C(C)=O)CC4O)c(C)[nH]c23)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CDK9 P50750 3/20 0.31
CCNT1 O60563 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
RIPK1 Q13546 1/20 0.30
LRRK2 Q5S007 2/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
CNR1 P21554 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 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
SCHEMBL9897222 1.00 ERBB2 (0.32) ERBB2EPHA2KDREPHB4FFAR4
SCHEMBL9897505 0.97 ERBB2 (0.32) ERBB2EPHA2KDREPHB4FFAR4
SCHEMBL9897506 0.97 ERBB2 (0.32) ERBB2EPHA2KDREPHB4FFAR4
SCHEMBL9895982 0.94 CDK4 (0.35) KDRFFAR4CDK9CCNT1LRRK2
SCHEMBL9897153 0.94 CDK4 (0.35) KDRFFAR4CDK9CCNT1LRRK2
SCHEMBL1438651 0.94 PIK3CD (0.34) FFAR4CDK9CCNT1HTR2AHTR2C
SCHEMBL1438652 0.94 PIK3CD (0.34) FFAR4CDK9CCNT1HTR2AHTR2C
SCHEMBL9899281 0.93 CCNT1 (0.33) FFAR4CDK9CCNT1HTR2AHTR2C
SCHEMBL9899280 0.93 CCNT1 (0.33) FFAR4CDK9CCNT1HTR2AHTR2C
SCHEMBL9897157 0.92 CNR1 (0.31) FFAR4CDK9CCNT1CNR1

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 9 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
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

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 ERBB2 3526/4885EPHA2 4779/4885KDR 1830/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ERBB2 3870/4885EPHA2 4829/4885KDR 2683/4885

“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.