SCHEMBL4432408

SCHEMBL4432408

Cn1nc(C2CCCC2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH4 Q9H3N8 15/20 0.46
HRH3 Q9Y5N1 1/20 0.40
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMB5 P28074 1/20 0.39
MPO P05164 2/20 0.35

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
SCHEMBL7278970 0.98 NPC1 (0.53) NPC1LMNATP53PKMRAB9A
SCHEMBL5223113 0.96 NPC1 (0.50) NPC1LMNATP53PKMRAB9A
SCHEMBL574082 0.92 NPC1 (0.45) NPC1LMNATP53PKMRAB9A
SCHEMBL21847667 0.84 LRRK2 (0.40) NPC1LMNATP53PKMRAB9A
SCHEMBL26847648 0.78 HRH4 (0.41) NPC1LMNATP53PKMRAB9A
SCHEMBL3939169 0.78 NPC1 (0.56) NPC1LMNATP53PKMRAB9A
SCHEMBL11009050 0.78 NPC1 (0.35) NPC1LMNATP53PKMRAB9A
SCHEMBL29249598 0.77 PSMB8 (0.42) NPC1LMNATP53PKMRAB9A
SCHEMBL28842193 0.77 PSMB8 (0.42) NPC1LMNATP53PKMRAB9A
SCHEMBL24741970 0.77 NPC1 (0.50) NPC1LMNATP53PKMRAB9A

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-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
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
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 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-0157260-B1 4,7-DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1990-06-13 EP disclosed
US-4873334-A HYPOTENSIVE AGENTS, CORONARY VASODILATORS SHIONOGI & CO., LTD. (JP) 1989-10-10 US disclosed
EP-0107619-B1 DIHYDROPYRAZOLO(3,4-B)PYRIDINE DERIVATIVES AND PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0107619-A1 Dihydropyrazolo(3,4-b)pyridine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1984-05-02 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 (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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 NPC1 706/4885LMNA 2946/4885TP53 1106/4885
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 NPC1 4287/4885LMNA 3483/4885TP53 126/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 NPC1 4287/4885LMNA 3483/4885TP53 126/4885

“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.