SCHEMBL985692

SCHEMBL985692

O=C(O)c1c[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.44
KDM4C Q9H3R0 4/20 0.44
KMO O15229 2/20 0.39
BRD4 O60885 1/20 0.38
PHF8 Q9UPP1 4/20 0.37
KDM2B Q8NHM5 2/20 0.37
KDM4A O75164 2/20 0.36
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
RBP4 P02753 2/20 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
SCHEMBL986385 0.93 BRD4 (0.43) KDM5AKDM4CKMOBRD4KDM2B
SCHEMBL983478 0.89 KMO (0.39) KDM5AKDM4CKMOKDM4ARBP4
SCHEMBL983088 0.88 JAK3 (0.46) KDM5AKDM4C
SCHEMBL981956 0.87 PDE4A (0.38) KDM5AKDM4CKMOKDM4A
SCHEMBL3429999 0.87 KDM4E (0.43) KDM5AKDM4CKMOKDM4A
SCHEMBL985069 0.86 KDM4C (0.38) KDM5AKDM4CKMOKDM4A
SCHEMBL984646 0.85 ACKR3 (0.41) KDM5AKDM4CSCN8ASCN10A
SCHEMBL983554 0.85 KDM4C (0.39) KDM5AKDM4CKMOKDM4APIK3R1
SCHEMBL982755 0.85 KDM4C (0.39) KDM5AKDM4CKMOKDM4APIK3R1
SCHEMBL981859 0.84 SMYD3 (0.41) KDM5AKDM4CSCN8ASCN10A

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 KDM5A 263/4885KDM4C 599/4885KMO 1104/4885

“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.