SCHEMBL10180406

SCHEMBL10180406

COC(=O)c1cc(Br)cc(Br)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SIRT6 Q8N6T7 1/20 0.37
NR4A2 P43354 1/20 0.37
GAA P10253 2/20 0.37
COMT P21964 1/20 0.36
NOTUM Q6P988 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL30722742 0.84 PDGFRB (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26988941 0.84 PDGFRB (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10181409 0.83 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL10179502 0.80 AKR1C2 (0.53) HSD17B10PKMALDH1A1MAPTAKR1C4
SCHEMBL10180307 0.79 ESR1 (0.48) HSD17B10MEN1KMT2AALDH1A1COMT
SCHEMBL28740427 0.78 SMN1; SMN2 (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1477182 0.78 SMN1; SMN2 (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL3939940 0.77 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2140841 0.77 MEN1 (0.49) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL17560543 0.77 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474536-B1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL IND CO (JP) 2014-06-25 EP disclosed
US-20120178931-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2012-07-12 US disclosed
EP-2474536-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-07-11 EP 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-20120178931-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF DPYD, UMPS, PNP PDGFRB 359/4885FGFR1 2526/4885PDGFRA 631/4885

“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.