SCHEMBL5700322

SCHEMBL5700322

Cc1ccc(-c2cc(Cl)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.50
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TGFBR1 P36897 1/20 0.42
DHODH Q02127 1/20 0.42
MAP4K4 O95819 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL29463685 0.81 CCR1 (0.70) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL6807225 0.81 CCR1 (0.70) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL29387099 0.80 MAPT (0.47) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL30898561 0.80 ASIC3 (0.50) PIK3CGKMT2AMAPTMEN1ALDH1A1
SCHEMBL6183900 0.80 CCR1 (0.61) PIK3CGKMT2AMAPTMEN1CCR1
SCHEMBL15578128 0.80 MAPT (0.47) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL15263671 0.79 KIF11 (0.46) KMT2AMAPTKDM4EALDH1A1TDP1
SCHEMBL14154862 0.79 PIK3CA (0.53) PIK3CGKMT2AMAPTMEN1KDM4E
SCHEMBL31312595 0.79 KIF11 (0.46) KMT2AMAPTKDM4EALDH1A1TDP1
SCHEMBL1662224 0.79 ASIC3 (0.59) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580961-B2 2-phenyl-6-azolylpyridine-based ligand and group VIII transition metal complex NATIONAL TSING HUA UNIVERSITY (TW) 2013-11-12 US disclosed
US-20130018189-A1 2-PHENYL-6-AZOLYLPYRIDINE-BASED LIGAND AND GROUP VIII TRANSITION METAL COMPLEX NATIONAL TSING HUA UNIVERSITY (TW) 2013-01-17 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 PIK3CG 54/4885KMT2A 1390/4885MAPT 4407/4885
US-20130018189-A1 2-PHENYL-6-AZOLYLPYRIDINE-BASED LIGAND AND GROUP VIII TRANSITION METAL COMPLEX C1S, H1-10, INTS6 PIK3CG 2850/4885KMT2A 1847/4885MAPT 4704/4885

“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.