SCHEMBL4577230

SCHEMBL4577230

O=C(CCl)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.67
ROCK1 Q13464 8/20 0.67
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPK1 P28482 1/20 0.63
P2RX7 Q99572 2/20 0.62
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
RPS6KB1 P23443 1/20 0.61
CLK2 P49760 1/20 0.61
DYRK1A Q13627 1/20 0.61
PRKG1 Q13976 1/20 0.61
PRKD2 Q9BZL6 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
SGK2 Q9HBY8 1/20 0.61
STK17A Q9UEE5 1/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.60
JAK2 O60674 2/20 0.60
JAK1 P23458 1/20 0.59

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
SCHEMBL5407357 0.89 ROCK2 (0.63) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL4578714 0.88 CLK2 (0.65) MEN1KMT2AP2RX7MAP4K4CLK2
SCHEMBL5417979 0.86 CNR1 (0.64) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL17776529 0.85 ROCK2 (0.71) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL2571077 0.84 ROCK2 (0.74) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL5413020 0.84 ROCK2 (0.65) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL23075124 0.83 CNR1 (0.69) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL5411112 0.83 P2RX7 (0.65) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL20673098 0.83 ROCK2 (0.68) ROCK2ROCK1MEN1KMT2AP2RX7
SCHEMBL2572294 0.82 ROCK2 (0.66) ROCK2ROCK1MEN1KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 EP disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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 (4 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C ROCK2 4291/4885ROCK1 3751/4885MEN1 2584/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885MEN1 2593/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ROCK2 4762/4885ROCK1 4724/4885MEN1 3200/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ROCK2 4761/4885ROCK1 4757/4885MEN1 2899/4885

“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.