SCHEMBL2118053

SCHEMBL2118053

c1ccc(-c2cncnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 1.00
CYP2A6 P11509 2/20 0.64
ALDH1A1 P00352 2/20 0.53
NOTUM Q6P988 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GRM5 P41594 1/20 0.48
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP19A1 P11511 1/20 0.45
HDAC4 P56524 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
XDH P47989 1/20 0.43

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
SCHEMBL16648170 0.92 ATM (0.85) ATMCYP2A6ALDH1A1NOTUMNPC1
SCHEMBL28420107 0.90 ATM (0.81) ATMCYP2A6ALDH1A1NOTUMNPC1
SCHEMBL24492853 0.88 ATM (0.77) ATMCYP2A6ALDH1A1NOTUMNPC1
SCHEMBL24493202 0.88 ATM (0.77) ATMCYP2A6ALDH1A1NOTUMNPC1
SCHEMBL9975007 0.86 ATM (0.74) ATMCYP2A6ALDH1A1NOTUMNPC1
Alcohol SCHEMBL28257176 0.86 ATM (0.74) ATMCYP2A6ALDH1A1NOTUMNPC1
SCHEMBL9974964 0.86 ATM (0.74) ATMCYP2A6ALDH1A1NOTUMNPC1
Biphenyl SCHEMBL28814351 0.84 ATM (0.72) ATMCYP2A6ALDH1A1NOTUMNPC1
Biphenyl SCHEMBL25263755 0.84 ATM (0.72) ATMCYP2A6ALDH1A1NOTUMNPC1
SCHEMBL6682176 0.84 ATM (0.72) ATMCYP2A6ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100488952-C 5-phenyl pyridine, its preparation method and intermediate product and uses in controlling harmful fungus BASF AG (DE) 2009-05-20 CN claimed
EP-1504001-B1 2-(2-PYRIDYL)-5-PHENYL-6-AMINOPYRIMIDINE, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION AND USE THEREOF FOR COMBATING NOXIOUS FUNGI BASF SE (DE) 2009-04-15 EP claimed
US-7465735-B2 crop protection agents for controlling harmful fungi; improved activity; 6-chloro-2-(N'-isopropylidene-hydrazino)-5-(2,4,6-trifluorophenyl)pyrimidine-4-yl]-((S)-1-trifluoromethylethyl)amine; against Septoria Leaf Blotch of Wheat, Net Blotch of Barley and Mildew of Cucumber BASF AKTIENGESELLSCHAFT (DE) 2008-12-16 US claimed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US claimed
JP-2008528535-A 2008-07-31 JP claimed
US-20080146593-A1 Substituted 5-Phenyl Pyrimidines I In Therapy BASF AKTIENGESELLSCHAFT (DE) 2008-06-19 US claimed
CN-101111250-A Substituted 5-phenylpyrimidines I for therapy BASF AG (DE) 2008-01-23 CN claimed
EP-1845991-A2 SUBSTITUTED 5-PHENYL PYRIMIDINES I IN THERAPY BASF AKTIENGESELLSCHAFT (DE) 2007-10-24 EP claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US claimed
US-5753139-A High contrast distorted helix effect electro-optic devices and tight ferroelectric pitch ferroelectric pitch ferroelectric liquid crystal compositions useful therein DISPLAYTECH, INC. (US) 1998-05-19 US claimed
US-5662828-A Compound having unsaturated side chain, process for preparing the same, liquid crystalline polymer prepared from the same, liquid crystal mixture and display element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-09-02 US claimed
US-5554317-A POLYSILOXANE LIQUID CRYSTALLINE POLYMERS FORMED BY GRAFT POLYMERIZING AT LEAST ONE UNSATURATED COMPOUND WITH ONE OR MORE AROMATIC OR HETEROAROMATIC RINGS, OPTIONAL ETHER GROUP AND OPTIONAL ASYMMETRIC C ON POLYALKYLHYDROSILOXANE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-09-10 US claimed
US-5539555-A High contrast distorted helex effect electro-optic devices and tight ferroelectric pitch ferroelectric liquid crystal compositions useful therein DISPLAYTECH, INC. (US) 1996-07-23 US claimed
EP-0634469-A1 Compound having unsaturated side-chain, process for preparing the same, liquid crystalline polymer prepared from the same, liquid crystal mixture and display element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP claimed
US-5380460-A Ferroelectric liquid crystal compounds containing chiral haloalkoxy tail units and compositions containing them DISPLAYTECH, INC. (US) 1995-01-10 US claimed
EP-0295370-B1 LIQUID-CRYSTALLINE 5-PHENYL PYRIMIDINE DERIVATIVES WITH AN SC OR SC (ASTERISK) PHASE, AND METHOD FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP claimed
WO-1993006192-A1 FERROELECTRIC LIQUID CRYSTAL COMPOUNDS CONTAINING CHIRAL HALOALKOXY TAIL UNITS AND COMPOSITIONS CONTAINING THEM DISPLAYTECH, INCORPORATED (US) 1993-04-01 WO claimed
WO-1992001766-A1 FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS CONTAINING HALOGENATED CORES AND CHIRAL HALOALKOXY TAIL UNITS DISPLAYTECH, INC. (US) 1992-02-06 WO claimed
US-4906752-A Liquid-crystal 5-phenylpyrimidine derivatives having sc or sc* phases and a process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US claimed

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-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR ATM 3647/4885CYP2A6 383/4885ALDH1A1 356/4885
US-20080146593-A1 Substituted 5-Phenyl Pyrimidines I In Therapy NR1H2, NR1H3, NR1I2 ATM 3160/4885CYP2A6 94/4885ALDH1A1 543/4885

“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.