SCHEMBL4925355

SCHEMBL4925355

O=C(Cl)Cc1c(F)cc(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
GPR17 Q13304 1/20 0.36
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
P2RX7 Q99572 1/20 0.31
MAPT P10636 3/20 0.30
MEN1 O00255 2/20 0.30
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL16553979 0.83 ERN1 (0.37) KMT2AALDH1A1LMNARAB9AGAA
SCHEMBL1884539 0.83 CES2 (0.40) GPR17ALDH1A1P2RX7MAPTTP53
SCHEMBL4928410 0.81 GPR17 (0.43) DGAT1GPR17KMT2AALDH1A1LMNA
SCHEMBL14720178 0.79 DGAT1 (0.46) DGAT1GPR17KMT2ALMNASMN1; SMN2
SCHEMBL3420493 0.75 ALDH1A1 (0.37) KMT2AALDH1A1MAPTMEN1
SCHEMBL29574602 0.75 DGAT1 (0.46) DGAT1KMT2AALDH1A1LMNANPC1
SCHEMBL8696600 0.75 DGAT1 (0.46) DGAT1KMT2AALDH1A1LMNANPC1
SCHEMBL22830383 0.75 HSP90AB1 (0.43) DGAT1KMT2AALDH1A1LMNANPC1
SCHEMBL31310136 0.75 GPR17 (0.39) DGAT1GPR17KMT2AALDH1A1LMNA
SCHEMBL17515000 0.74 MAPT (0.32) DGAT1GPR17MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789100-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-17 US disclosed
EP-2970191-B1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-12-21 EP disclosed
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-22 US disclosed
US-9382238-B2 Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-05 US disclosed
EP-2970191-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-01-20 EP disclosed
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-07 US disclosed
US-9035063-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-19 US disclosed
US-20150099762-A1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 US disclosed
US-8937071-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-01-20 US disclosed
WO-2014141187-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-18 WO disclosed
US-20140275111-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-18 US disclosed
US-20080318962-A1 Fungicides Based on Nitrogen-Containing Heterocycles SYNGENTA CROP PROTECTION, INC. (US) 2008-12-25 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 (5 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-20150099762-A1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB DGAT1 3590/4885GPR17 2346/4885KMT2A 2276/4885
US-20140275111-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB DGAT1 3794/4885GPR17 2573/4885KMT2A 2386/4885
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB DGAT1 3794/4885GPR17 2573/4885KMT2A 2386/4885
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS RET, FER, NTRK1 DGAT1 4508/4885GPR17 2074/4885KMT2A 2642/4885
US-20080318962-A1 Fungicides Based on Nitrogen-Containing Heterocycles DDT, CYP4X1, CBR1 DGAT1 4093/4885GPR17 4295/4885KMT2A 874/4885

“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.