SCHEMBL6283348

SCHEMBL6283348

Cc1cc(=O)[nH]c2c1c(=O)n(CCCC[C@@H](C)O)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.43
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TNF P01375 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
TRPC5 Q9UL62 6/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PDGFRA P16234 1/20 0.32
LTK P29376 1/20 0.32
GRK5 P34947 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CDK9 P50750 1/20 0.32
PRKX P51817 1/20 0.32
NEK2 P51955 1/20 0.32

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
SCHEMBL6283352 1.00 SHMT2 (0.43) SHMT2HSD17B10PKMHTTSMN1; SMN2
SCHEMBL6289494 0.85 SHMT2 (0.39) SHMT2HSD17B10PKMHTTSMN1; SMN2
SCHEMBL6289495 0.85 SHMT2 (0.39) SHMT2HSD17B10PKMHTTSMN1; SMN2
SCHEMBL6283304 0.83 POLB (0.39) HTTTNFTRPC5KDM4ECYP2C9
SCHEMBL6283312 0.83 POLB (0.39) HTTTNFTRPC5KDM4ECYP2C9
SCHEMBL681893 0.83 TNF (0.34) SMN1; SMN2TNFTRPC5
SCHEMBL6284271 0.77 ALDH1A1 (0.39) HSD17B10SMN1; SMN2TNFKDM4E
SCHEMBL6284269 0.77 ALDH1A1 (0.39) HSD17B10SMN1; SMN2TNFKDM4E
SCHEMBL682184 0.74 TRPC5 (0.34) SMN1; SMN2TNFTRPC5
SCHEMBL6349596 0.74 TNF (0.46) HSD17B10HTTSMN1; SMN2TNFNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 US disclosed
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-09-23 US disclosed
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-09-23 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
US-20050059685-A1 Pyridopyrimidine compounds and their uses CELL THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-6825180-B2 CYTOKINE INTRACELLULAR SIGNALING INHIBITORS; ANTIINFLAMMATORY AGENTS CELL THERAPEUTICS, INC. 2004-11-30 US disclosed
US-20040023995-A1 Pyridopyrimidine compounds and their uses CELL THERAPEUTICS, INC. 2004-02-05 US disclosed
WO-2002094824-A1 PYRIDOPYRIMIDINE COMPOUNDS AND THEIR USES CELL THERAPEUTICS, INC. (US) 2002-11-28 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 (7 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-20040023995-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK SHMT2 442/4885HSD17B10 3671/4885PKM 810/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SHMT2 147/4885HSD17B10 3209/4885PKM 2167/4885
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SHMT2 147/4885HSD17B10 3209/4885PKM 2167/4885
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SHMT2 147/4885HSD17B10 3209/4885PKM 2167/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SHMT2 147/4885HSD17B10 3209/4885PKM 2167/4885
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SHMT2 147/4885HSD17B10 3209/4885PKM 2167/4885
US-20050059685-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK SHMT2 442/4885HSD17B10 3671/4885PKM 810/4885

“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.