SCHEMBL14905014

SCHEMBL14905014

O=C(NCCOCCO)c1cc(Cl)ccn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
PYGL P06737 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43
POLB P06746 1/20 0.43
NTRK1 P04629 1/20 0.42
TP53 P04637 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL620675 0.85 KDM4C (0.54) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL18569601 0.83 MEN1 (0.46) KMT2AMEN1NPC1POLB
SCHEMBL16220648 0.81 KMT2A (0.61) KMT2AMEN1ALDH1A1
SCHEMBL14904964 0.80 KMT2A (0.52) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL3504843 0.80 MAOB (0.63) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL6072144 0.80 L3MBTL1 (0.55) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL27983390 0.80 KDM4C (0.51) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL10710100 0.80 KDM4C (0.55) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL620468 0.79 KDM4C (0.55) KDM4CKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL10710861 0.78 MAOB (0.61) KDM4CKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDM4C 1139/4885PYGL 535/4885KMT2A 691/4885
US-20150031669-A1 ANTICANCER BENZOPYRAZINES VIA THE INHIBITION OF FGFR KINASES FGFR1, FGFR4, FGFR3 KDM4C 731/4885PYGL 1350/4885KMT2A 1019/4885

“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.