SCHEMBL6996010

SCHEMBL6996010

CC(C)(C)[Si](C)(C)OCc1cnc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.45
HRH4 Q9H3N8 7/20 0.45
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
LMNA P02545 2/20 0.40
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.40
HRH2 P25021 1/20 0.40

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
SCHEMBL12083368 0.76 PKM (0.47) HRH3HRH4PKMKDM4EPOLB
SCHEMBL27170360 0.74 ADRA1D (0.46) HRH3HRH4ADRA1D
SCHEMBL2841402 0.71
SCHEMBL7426757 0.70 HRH4 (0.46) HRH4HRH1
SCHEMBL233717 0.69
SCHEMBL2631880 0.69 MPG (0.52) HRH3HRH4
SCHEMBL20131388 0.69 MPG (0.52) HRH3HRH4
SCHEMBL21306102 0.69 PKM (0.44) HRH3HRH4PKMKDM4EPOLB
SCHEMBL18839725 0.69 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL7047906 0.69 HRH3 (0.41) HRH3HRH4PKMKDM4EPOLB

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
EP-2776408-B1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LTD (GB) 2019-11-06 EP disclosed
US-20160220564-A1 SUBSTITUTUED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2016-08-04 US disclosed
US-20160220564-A1 SUBSTITUTUED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2016-08-04 US disclosed
US-9303029-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-04-05 US disclosed
US-20150031669-A1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2015-01-29 US disclosed
WO-2013061081-A1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 WO disclosed
US-7763644-B2 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-07-27 US disclosed
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US disclosed
US-7244747-B2 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-07-17 US disclosed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US 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-20160220564-A1 SUBSTITUTUED QUINOXALINES AS FGFR KINASE INHIBITORS FGFR1, FGFR3, FGFR4 HRH3 1226/4885HRH4 711/4885PKM 923/4885
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 HRH3 753/4885HRH4 322/4885PKM 709/4885
US-20150031669-A1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES FGFR1, FGFR4, FGFR3 HRH3 2224/4885HRH4 1488/4885PKM 882/4885

“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.