SCHEMBL981880

SCHEMBL981880

CC(=O)c1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)O)c[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
KDM4C Q9H3R0 3/20 0.37
KDM2B Q8NHM5 1/20 0.37
SLC6A9 P48067 1/20 0.35
BRD4 O60885 1/20 0.35
SYK P43405 3/20 0.35
AURKB Q96GD4 2/20 0.35
INCENP Q9NQS7 2/20 0.35
KDM5A P29375 3/20 0.35
KDM4A O75164 2/20 0.35
RXRA P19793 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MAP4K4 O95819 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL983435 0.89 JAK3 (0.40)
SCHEMBL983691 0.89 KDM4C (0.46) KMOKDM4CKDM2BBRD4SYK
SCHEMBL984358 0.87 PDE4A (0.40) KMOKDM4CKDM2BBRD4KDM5A
SCHEMBL983453 0.87 KMO (0.35) KMOKDM4CKDM2BBRD4SYK
SCHEMBL986385 0.87 BRD4 (0.43) KMOKDM4CKDM2BBRD4KDM5A
SCHEMBL983478 0.84 KMO (0.39) KMOKDM4CKDM5AKDM4APDE4A
SCHEMBL981754 0.83 MCHR1 (0.37) SLC6A9BRD4
SCHEMBL985692 0.82 KDM5A (0.44) KMOKDM4CKDM2BBRD4KDM5A
SCHEMBL981956 0.81 PDE4A (0.38) KMOKDM4CKDM5AKDM4APDE4A
SCHEMBL982941 0.80 BTK (0.39) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
CN-101959890-B Pyrrolopyrimidine carboxamides NYCOMED GMBH 2013-10-30 CN disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
CN-101959890-A Pyrrolopyrimidine carboxamides NYCOMED GMBH 2011-01-26 CN 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KMO 1104/4885KDM4C 599/4885KDM2B 831/4885

“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.