SCHEMBL2897973

SCHEMBL2897973

C#Cc1cc(C)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
EGFR P00533 1/20 0.35
FBP1 P09467 1/20 0.35
ACHE P22303 4/20 0.35
CYP2A6 P11509 3/20 0.35
CYP1A2 P05177 2/20 0.35
NISCH Q9Y2I1 1/20 0.33
TDP1 Q9NUW8 5/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
PYCR1 P32322 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP14 Q460N5 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
SCHEMBL3433424 0.82 NFE2L2 (0.36) NFE2L2ACHECYP2A6CYP1A2TDP1
Methylamine SCHEMBL16286686 0.78 NFE2L2 (0.34) NFE2L2ACHECYP2A6CYP1A2TDP1
SCHEMBL3843168 0.78 CYP2A6 (0.39) ACHECYP2A6CYP1A2TDP1TP53
SCHEMBL16960207 0.77 NFE2L2 (0.36) NFE2L2ACHECYP2A6CYP1A2NISCH
SCHEMBL253758 0.77 TRPV4 (0.43) NFE2L2CYP2A6ALDH1A1
SCHEMBL6211823 0.77 NFE2L2 (0.36) NFE2L2ACHECYP2A6CYP1A2NISCH
SCHEMBL718612 0.76 CA3 (0.42) NFE2L2EGFRFBP1CYP2A6CYP1A2
SCHEMBL3220960 0.76 TDP1 (0.42) ACHECYP2A6CYP1A2TDP1TP53
SCHEMBL21386089 0.76 NFE2L2 (0.35) NFE2L2ACHECYP2A6CYP1A2NISCH
SCHEMBL1544963 0.74 PTGDR2 (0.36) EGFRFBP1CYP2A6TDP1TP53

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
CN-101506202-A mGluR5 modulators I ASTRAZENECA AB (SE) 2009-08-12 CN claimed
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
WO-2023101928-A1 FUSED PYRIMIDINE DERIVATIVES AS KRAS ONCOPROTEIN INHIBITORS BETA PHARMA, INC. (US) 2023-06-08 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
EP-2680850-B1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2018-05-23 EP disclosed
EP-2780342-B1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-06-01 EP disclosed
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2016-02-04 US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 WO disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 NFE2L2 4161/4885EGFR 2465/4885FBP1 2427/4885
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 NFE2L2 1295/4885EGFR 5/4885FBP1 2631/4885

“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.