SCHEMBL3269780

SCHEMBL3269780

O=C(Nc1cccnc1)OCC(Cl)(Cl)Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
CHRNA7 P36544 1/20 0.50
NAMPT P43490 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
HIF1A Q16665 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NOTUM Q6P988 2/20 0.48
RECQL P46063 1/20 0.48
CYP11B2 P19099 2/20 0.48
CDK2 P24941 1/20 0.48
FLT4 P35916 1/20 0.48
CYP11B1 P15538 1/20 0.48

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
SCHEMBL963653 0.85 NAMPT (0.55) RAB9ANPC1PKMCHRNA7NAMPT
SCHEMBL3766141 0.81 BCAT2 (0.40) RAB9ANPC1CHRNA7MEN1KMT2A
SCHEMBL3760987 0.81 POLB (0.56) RAB9ANPC1PKMNAMPTL3MBTL1
SCHEMBL22978789 0.81 RAB9A (0.56) RAB9ANPC1PKMCHRNA7NAMPT
SCHEMBL10778464 0.81 NPC1 (0.54) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3765780 0.81 BCHE (0.41) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL27129536 0.80 RAB9A (0.54) RAB9ANPC1PKMCHRNA7NAMPT
SCHEMBL966665 0.80 NPC1 (0.59) RAB9ANPC1PKMCHRNA7NAMPT
SCHEMBL30058651 0.80 NPC1 (0.59) RAB9ANPC1PKMCHRNA7NAMPT
SCHEMBL965412 0.78 NPC1 (0.60) RAB9ANPC1PKMCHRNA7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7812025-B2 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-12 US disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20090048263-A1 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1923388-A1 BRAIN/NEURONAL CELL-PROTECTING AGENT, AND THERAPEUTIC AGENT FOR SLEEP DISORDER Takeda Pharmaceutical Company Limited (JP) 2008-05-21 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (6 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA RAB9A 1569/4885NPC1 2637/4885PKM 4524/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 RAB9A 1416/4885NPC1 1078/4885PKM 3762/4885
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 RAB9A 1244/4885NPC1 4287/4885PKM 505/4885
US-20090048263-A1 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder HCRTR1, HCRTR2, MTNR1A RAB9A 1922/4885NPC1 1076/4885PKM 3272/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA RAB9A 1569/4885NPC1 2637/4885PKM 4524/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 RAB9A 1244/4885NPC1 4287/4885PKM 505/4885

“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.