SCHEMBL983554

SCHEMBL983554

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.39
FFAR4 Q5NUL3 2/20 0.36
KDM5A P29375 3/20 0.35
KMO O15229 1/20 0.35
BTK Q06187 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
WDR5 P61964 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PIK3R1 P27986 1/20 0.33

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 0.96 KDM4C (0.39) KDM4CFFAR4KDM5AKMOBTK
SCHEMBL985551 0.89 JAK3 (0.41)
SCHEMBL984995 0.88 KDM4C (0.37) KDM4CFFAR4KDM5AKMOHTR2A
SCHEMBL985069 0.87 KDM4C (0.38) KDM4CFFAR4KDM5AKMOCAMKK1
SCHEMBL985123 0.86 JAK3 (0.41)
SCHEMBL986220 0.86 PTK2 (0.40) SCN9A
SCHEMBL983558 0.85 PDE4B (0.36) KDM4CKDM5AKMOCAMKK1CAMKK2
SCHEMBL986222 0.85 CNR2 (0.40) FFAR4HTR2AHTR2CHTR2BWDR5
Hydrochloric Acid SCHEMBL985230 0.85 PTK2 (0.40) SCN9A
SCHEMBL985692 0.85 KDM5A (0.44) KDM4CKDM5AKMOHTR2AHTR2C

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 11 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-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 CN disclosed
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives ASTRAZENECA AB (SE) 2016-04-21 US disclosed
EP-2721030-B1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2015-12-16 EP disclosed
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES TAKEDA GMBH (DE) 2014-04-24 US disclosed
EP-2721030-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES Takeda GmbH (DE) 2014-04-23 EP disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
WO-2012171900-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES NYCOMED GMBH (DE) 2012-12-20 WO 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 (3 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 599/4885FFAR4 3533/4885KDM5A 263/4885
US-20160108049-A1 Novel Phthalazinone-Pyrrolopyrimidinecarboxamide Derivatives PDE4A, PDE4B, PDE5A KDM4C 198/4885FFAR4 1010/4885KDM5A 86/4885
US-20140112945-A1 NOVEL PHTHALAZINONE-PYRROLOPYRIMIDINECARBOXAMIDE DERIVATIVES PDE4A, PDE4B, PDE5A KDM4C 223/4885FFAR4 1150/4885KDM5A 79/4885

“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.