SCHEMBL2630833

SCHEMBL2630833

COC(=O)c1c(Cl)cc(C)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
CYP3A4 P08684 2/20 0.43
ACHE P22303 1/20 0.43
HPGD P15428 4/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR4 O95977 1/20 0.39
PLA2G2A P14555 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL22689984 0.87 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL31369008 0.87 KMT2A (0.50) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL1710208 0.84 KDM4E (0.44) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL1059732 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL13363312 0.83 POLB (0.53) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL31336305 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL12866760 0.81 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL7706726 0.79 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL3227278 0.79 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A
SCHEMBL6031540 0.79 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPK1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
EP-2569293-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-03-20 EP disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 WO disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 WO disclosed
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-6043260-A Method of treating heart failure PFIZER INC (US) 2000-03-28 US disclosed
EP-0951906-A1 Use of 3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-pyridines for treating heart failure Pfizer Products Inc. (US) 1999-10-27 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 WO disclosed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 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 (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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 ALDH1A1 4423/4885SMN1; SMN2 731/4885MAPK1 3258/4885
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 LRRK2, PARK7, GRK3 ALDH1A1 4327/4885SMN1; SMN2 1043/4885MAPK1 226/4885

“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.