SCHEMBL6320460

SCHEMBL6320460

Cc1cc(N)c2c[c]ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.58
NR4A2 P43354 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GNG2 P59768 2/20 0.45
GNB1 P62873 2/20 0.45
MEN1 O00255 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TERT O14746 6/20 0.44
DOT1L Q8TEK3 3/20 0.43
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
Iodide SCHEMBL27879134 0.74 NCF1 (0.92) NCF1NR4A2ALDH1A1CASP1CASP7
SCHEMBL1120035 0.73 NCF1 (1.00) NCF1NR4A2ALDH1A1CASP1CASP7
SCHEMBL29557788 0.73 NCF1 (1.00) NCF1NR4A2ALDH1A1CASP1CASP7
SCHEMBL8486872 0.73 HSD17B10 (0.39) NCF1ALDH1A1CASP1CASP7HSD17B10
Hydrochloric Acid SCHEMBL29209114 0.72 NCF1 (0.96) NCF1NR4A2ALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL4754644 0.72 NCF1 (0.96) NCF1NR4A2ALDH1A1CASP1CASP7
SCHEMBL3235863 0.72 NCF1 (0.63) NCF1NR4A2ALDH1A1CASP1CASP7
SCHEMBL438604 0.72 NCF1 (0.63) NCF1NR4A2ALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL27703457 0.72 NCF1 (0.96) NCF1NR4A2ALDH1A1CASP1CASP7
Iodide SCHEMBL27942629 0.72 NCF1 (0.96) NCF1NR4A2ALDH1A1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 WO claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 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 (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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT NCF1 2865/4885NR4A2 3527/4885ALDH1A1 433/4885

“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.