SCHEMBL1370622

SCHEMBL1370622

CCCOc1nc(Cl)nc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
CSNK2A1 P68400 2/20 0.32
ENPP1 P22413 1/20 0.31
POLB P06746 1/20 0.31
TLR8 Q9NR97 1/20 0.30
HTT P42858 1/20 0.30
MCHR1 Q99705 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5368019 0.95 PDE10A (0.41) ALDH1A1ALOX15TSHRPDE10AKDM4E
SCHEMBL15247491 0.87 PDE10A (0.38) PDE10A
SCHEMBL1318906 0.86 RAB9A (0.41) ALDH1A1ALOX15TSHRKDM4ENFKB1
SCHEMBL11138006 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRKDM4ENFKB1
SCHEMBL5381295 0.85 SOAT1 (0.37) KDM4ENFKB1LMNAHSD17B10NPC1
SCHEMBL11393908 0.83 NR5A1 (0.40) ALDH1A1TSHRLMNATP53GAA
SCHEMBL17563551 0.83 NR5A1 (0.40) ALDH1A1TSHRLMNATP53GAA
SCHEMBL11652521 0.83 NR5A1 (0.40) ALDH1A1TSHRLMNATP53GAA
SCHEMBL6051629 0.82 RAB9A (0.41) KDM4ENFKB1LMNAHSD17B10NPC1
SCHEMBL632364 0.82 PDE10A (0.39) ALDH1A1TSHRPDE10ALMNAHSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530652-B2 Pyrrolopyrazoles, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
EP-2123635-B1 METHOD FOR PRODUCTION OF LAUROLACTAM UNIV NAGOYA NAT UNIV CORP (JP) 2013-06-05 EP disclosed
US-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US disclosed
US-8163899-B2 Process for producing laurolactam NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-04-24 US disclosed
US-8067591-B2 Pyrrolopyrazole, potent kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
US-20100324283-A1 PROCESS FOR PRODUCING LAUROLACTAM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-12-23 US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
EP-2123635-A1 METHOD FOR PRODUCTION OF LAUROLACTAM National University Corporation Nagoya University (JP) 2009-11-25 EP disclosed
EP-0626950-B1 TRIAZINE DERIVATES WITH UV-FILTER PROPERTIES MERCK PATENT GMBH (DE) 2001-10-24 EP disclosed
US-4942233-A LIQUID CRYSTALS MONTEDISON S.P.A. (IT) 1990-07-17 US disclosed
US-4939243-A Water-soluble copper complex disazo compounds containg a chloro triazinylamino group and a group of the vinylsulfone series as fiber-reactive groups and their dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed
EP-0300753-A2 Thermotropic DI-S-triazinic derivatives Montedison S.p.A. (IT) 1989-01-25 EP disclosed
EP-0084849-B1 WATER SOLUBLE COPPER COMPLEXES OF DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-14 EP disclosed
US-4402755-A HYDROLYZED DICHLORO-S-TRIAZINE DERIVATIVE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-09-06 US disclosed
EP-0084849-A2 Water soluble copper complexes of disazo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-08-03 EP disclosed
US-4330469-A Reactive dyes, processes for their manufacture and their use CIBA-GEIGY CORPORATION (US) 1982-05-18 US disclosed
EP-0001614-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their application, as well as the phthalocyanine pyrazolone intermediates and their preparation CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed
US-4054559-A Reactive disazo monohalogenotriazine dyestuffs NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1977-10-18 US disclosed
US-4007183-A 2-ALKYL OR ALKOXY-4,6-DISALICYLOYL-HYDRAZINO-S-TRIAZINE CIBA-GEIGY CORPORATION (US) 1977-02-08 US 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-20120264751-A1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 ALDH1A1 2941/4885ALOX15 4053/4885TSHR 4624/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 ALDH1A1 3130/4885ALOX15 3910/4885TSHR 4556/4885

“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.