SCHEMBL984995

SCHEMBL984995

COCOc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)O)c[nH]c23)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.37
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
KDM5A P29375 3/20 0.34
KMO O15229 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
WDR5 P61964 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
SCN9A Q15858 4/20 0.32
KDM4A O75164 2/20 0.31
SCN5A Q14524 1/20 0.31
S1PR2 O95136 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
EGFR P00533 1/20 0.31

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 0.92 KDM4C (0.39) KDM4CCAMKK1CAMKK2KDM5AKMO
SCHEMBL984962 0.90 JAK3 (0.40)
SCHEMBL983554 0.88 KDM4C (0.39) KDM4CCAMKK1CAMKK2KDM5AKMO
SCHEMBL983558 0.87 PDE4B (0.36) KDM4CCAMKK1CAMKK2KDM5AKMO
SCHEMBL985069 0.86 KDM4C (0.38) KDM4CCAMKK1CAMKK2KDM5AKMO
SCHEMBL985692 0.82 KDM5A (0.44) KDM4CKDM5AKMOHTR2AHTR2C
SCHEMBL985123 0.82 JAK3 (0.41)
SCHEMBL986385 0.82 BRD4 (0.43) KDM4CKDM5AKMOHTR2AHTR2C
SCHEMBL982011 0.81 SCN9A (0.40) SCN9A
Tert-Butyl Formate SCHEMBL27803004 0.81 PTK2 (0.34) WDR5SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4C 599/4885CAMKK1 1875/4885CAMKK2 1811/4885

“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.