SCHEMBL985069

SCHEMBL985069

O=C(O)c1c[nH]c2c(-c3cc(F)c(O)cc3OCC3CC3)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.38
KMO O15229 2/20 0.36
KDM5A P29375 3/20 0.34
KDM4A O75164 2/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
FFAR4 Q5NUL3 5/20 0.31
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30
SLC6A9 P48067 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
SCHEMBL982755 0.89 KDM4C (0.39) KDM4CKMOKDM5AKDM4ACAMKK1
SCHEMBL14949557 0.88 TBK1 (0.33) KDM4CKDM5A
SCHEMBL983558 0.87 PDE4B (0.36) KDM4CKMOKDM5ACAMKK1CAMKK2
SCHEMBL983554 0.87 KDM4C (0.39) KDM4CKMOKDM5AKDM4ACAMKK1
SCHEMBL984995 0.86 KDM4C (0.37) KDM4CKMOKDM5AKDM4ACAMKK1
SCHEMBL985692 0.86 KDM5A (0.44) KDM4CKMOKDM5AKDM4A
SCHEMBL986385 0.85 BRD4 (0.43) KDM4CKMOKDM5AKDM4A
Hydrochloric Acid SCHEMBL984192 0.84 PTK2 (0.35)
Hydrochloric Acid SCHEMBL984193 0.84 CNR2 (0.40) KDM4C
SCHEMBL985732 0.82 KDR (0.37)

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
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP claimed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO claimed
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
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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 (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 KDM4C 599/4885KMO 1104/4885KDM5A 263/4885

“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.