SCHEMBL4490247

SCHEMBL4490247

Clc1cc(-c2ccccn2)nc(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.63
CCR5 P51681 3/20 0.63
CCR8 P51685 3/20 0.63
KDM4E B2RXH2 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
METAP1 P53582 3/20 0.54
LMNA P02545 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
L3MBTL1 Q9Y468 6/20 0.53
ALOX15 P16050 4/20 0.53
TP53 P04637 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPK1 P28482 3/20 0.52
HTT P42858 2/20 0.52
ALPL P05186 2/20 0.52

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
SCHEMBL29545764 1.00 CCR1 (0.63) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL30423972 0.92 TDP1 (0.68) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL1442585 0.92 TDP1 (0.68) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL25004067 0.87 CCR1 (0.58) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL9487125 0.87 KDM4E (0.57) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL7152644 0.86 KDM4E (0.77) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL2369433 0.85 CCR1 (0.63) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL1444155 0.84 L3MBTL1 (0.58) CCR1CCR5CCR8KDM4ETDP1
SCHEMBL5480168 0.84 GRM5 (0.61) KDM4ETDP1METAP1LMNAMAPK1
SCHEMBL10157013 0.84 KDM4E (0.57) CCR1CCR5CCR8KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP claimed
WO-2018033610-A1 LIGANDS, ELECTROCHROMIC METALLO-POLYMERS OBTAINED THEREWITH AND THEIR USE JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2018-02-22 WO disclosed
WO-2018033610-A1 LIGANDS, ELECTROCHROMIC METALLO-POLYMERS OBTAINED THEREWITH AND THEIR USE JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2018-02-22 WO disclosed
EP-3284801-A1 LIGANDS, ELECTROCHROMIC METALLO-POLYMERS OBTAINED THEREWITH AND THEIR USE Julius-Maximilians-Universität Würzburg (DE) 2018-02-21 EP disclosed
EP-3284801-A1 LIGANDS, ELECTROCHROMIC METALLO-POLYMERS OBTAINED THEREWITH AND THEIR USE Julius-Maximilians-Universität Würzburg (DE) 2018-02-21 EP disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US disclosed
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP disclosed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 US disclosed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 US disclosed
EP-0431421-A2 Heteroarylsubstituted pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP disclosed
US-4996318-A Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke THE UPJOHN COMPANY (US) 1991-02-26 US disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 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 (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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 CCR1 4553/4885CCR5 3263/4885CCR8 4393/4885
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 CCR1 1240/4885CCR5 2554/4885CCR8 2397/4885

“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.