SCHEMBL2875450

SCHEMBL2875450

Nn1nccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.42
MAP2K1 Q02750 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 2/20 0.38
CHEK1 O14757 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL28327984 0.73 DRD2 (0.41) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL3926262 0.73 NPC1 (0.56) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL28339439 0.73 KDM5A (0.39) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL16152325 0.73 KDM5A (0.39) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL5966714 0.73 KDM5A (0.39) CLK4MAP2K1DYRK1BKDM4EALDH1A1
SCHEMBL1155787 0.71 MDM2 (0.55) ALDH1A1KDM5AKDM4CKDM5BPOLB
SCHEMBL2511844 0.71 OPRK1 (0.43) KMT2AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13045975 0.68 DRD1 (0.46) KMT2AKDM4EALDH1A1HPGDKDM5A
SCHEMBL12277396 0.68 NR3C2 (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17066883 0.68 ALK (0.50) KMT2AKDM4EALDH1A1HPGDKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889031-A1 ANTITRICHOPHYTOSIS SOLUTION FOR EXTERNAL USE Meiji Seika Pharma Co., Ltd. (JP) 2015-07-01 EP disclosed
US-20140030209-A1 TOPICAL LIQUID AGENT FOR THE TREATMENT OF DERMATOPHYTOSIS MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-1867336-B 1-aryl-4-substituted piperazines derivatives and pharmaceutical use thereof CHEMOCENTRYX INC 2010-05-12 CN disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
US-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
CN-1913898-A Substituted piperazines CHEMOCENTRYX INC (US) 2007-02-14 CN disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
CN-1867336-A 1-aryl-4-substituted piperazines derivatives for use as CCR1 antagonists for the treatment of inflammation and immune disorders CHEMOCENTRYX INC (US) 2006-11-22 CN disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
EP-0235558-A3 5-AMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1987-10-21 EP disclosed
EP-0235558-A2 5-Amino-1-phenyl pyrazoles BAYER AG (DE) 1987-09-09 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 (7 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CLK4 3233/4885MAP2K1 3092/4885DYRK1B 4657/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 CLK4 3233/4885MAP2K1 3092/4885DYRK1B 4657/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CLK4 3611/4885MAP2K1 3068/4885DYRK1B 4656/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CLK4 3611/4885MAP2K1 3068/4885DYRK1B 4656/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 CLK4 3233/4885MAP2K1 3092/4885DYRK1B 4657/4885
US-20140030209-A1 TOPICAL LIQUID AGENT FOR THE TREATMENT OF DERMATOPHYTOSIS POLR1C, CUTA, C1R CLK4 4035/4885MAP2K1 4737/4885DYRK1B 2254/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CLK4 3611/4885MAP2K1 3068/4885DYRK1B 4656/4885

“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.