SCHEMBL14149192

SCHEMBL14149192

CCOC(=O)/C=C/c1cc2ccccn2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.53
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TTR P02766 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL15939968 0.79 HDAC2 (0.61) HDAC2MAPTTP53KDM4EHSD17B10
SCHEMBL4051803 0.74 TP53 (0.65) MAPTTP53KDM4EHSD17B10NPC1
SCHEMBL14148933 0.72 CA12 (0.49) HDAC2MAPTKDM4ENPC1RAB9A
SCHEMBL31382526 0.72 MAP4K4 (0.49) MAPTTP53KDM4EHSD17B10NPC1
SCHEMBL8801214 0.72 MAP4K4 (0.49) MAPTTP53KDM4EHSD17B10NPC1
SCHEMBL2302128 0.72 CA12 (0.51) MAPTNPC1RAB9ATTRDPP4
SCHEMBL29550384 0.72 CA12 (0.51) MAPTNPC1RAB9ATTRDPP4
SCHEMBL2302901 0.72 CA12 (0.51) MAPTNPC1RAB9ATTRDPP4
SCHEMBL15599436 0.72 MAPK1 (0.49) MAPTTP53KDM4EHSD17B10NPC1
SCHEMBL544120 0.71 TTR (0.45) NPC1RAB9ATTRDPP4CA12

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
EP-2714041-B1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 — — EP disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 — — EP disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 — — US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 — — US disclosed
US-8975261-B2 Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US disclosed
US-8975261-B2 Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US disclosed
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-11-13 — — US disclosed
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-11-13 — — US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 — — US disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 — — WO disclosed
WO-2012162213-A1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-29 — — 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-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A HDAC2 1535/4885MAPT 1191/4885TP53 3581/4885
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS PDE10A, PDE12, PDE4A HDAC2 807/4885MAPT 1990/4885TP53 4716/4885

“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.

Send feedback