SCHEMBL3521901

SCHEMBL3521901

Cc1c(OCc2ccccc2)nc[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.52
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CCNB1 P14635 1/20 0.47
MGMT P16455 1/20 0.47
NFKB1 P19838 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
BLM P54132 1/20 0.47
CCNA1 P78396 1/20 0.47

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
SCHEMBL3526207 0.81 IP6K1 (0.52) IP6K1CDC7DBF4POLBL3MBTL1
SCHEMBL4484727 0.74 L3MBTL1 (0.59) POLBL3MBTL1LMNACYP2C9CYP2C19
SCHEMBL8330590 0.72 L3MBTL1 (0.49) CDC7DBF4POLBL3MBTL1LMNA
SCHEMBL14520678 0.72 IP6K1 (0.63) IP6K1L3MBTL1LMNANSD2ABL1
SCHEMBL16978817 0.71 LMNA (0.57) CDC7DBF4L3MBTL1LMNATSHR
SCHEMBL20180773 0.71 PDPK1 (0.43) LMNAMAPTABL1RIN1ALDH1A1
SCHEMBL6641884 0.71 IDO1 (0.60) IP6K1L3MBTL1LMNAMAPK1MAPT
SCHEMBL2563642 0.71 IP6K1 (0.49) IP6K1CDC7DBF4POLBL3MBTL1
SCHEMBL6829370 0.70 POLB (0.50) POLBL3MBTL1LMNATSHRMAPK1
SCHEMBL3521895 0.70 MAPK14 (0.60) LMNAALDH1A1HPGDHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 CN disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 IP6K1 837/4885CDC7 380/4885DBF4 4308/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 IP6K1 651/4885CDC7 625/4885DBF4 4523/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 IP6K1 837/4885CDC7 380/4885DBF4 4308/4885

“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.