SCHEMBL3157652

SCHEMBL3157652

c1ccc(-c2ccc(-c3ccncn3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51
CYP2D6 P10635 1/20 0.51
RAF1 P04049 1/20 0.51
MAPK9 P45984 1/20 0.51
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
MIF P14174 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
ADORA2A P29274 1/20 0.44
HDAC4 P56524 1/20 0.43
ATM Q13315 1/20 0.43
BRAF P15056 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL31360692 1.00 NOTUM (0.52) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL29500071 0.96 MAPK13 (0.54) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL2131373 0.96 MAPK13 (0.54) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL27926491 0.93 MAPK13 (0.53) NOTUMMAPK13MAPK12MAPK11MAPK14
Water SCHEMBL28117193 0.93 MAPK13 (0.53) NOTUMMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL11869763 0.93 MAPK13 (0.53) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL14425560 0.92 MAPK13 (0.46) NOTUMMAPK13MAPK12MAPK11MAPK14
Pyridine SCHEMBL28310314 0.89 MAPK13 (0.50) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL9903935 0.89 CYP2D6 (0.60) MAPK13MAPK12MAPK11MAPK14CYP2D6
SCHEMBL14425579 0.88 KMO (0.50) NOTUMMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141881-A1 LIGHT-EMITTING DEVICE AND METHOD FOR PRODUCING LIGHT-EMITTING DEVICE 株式会社半導体エネルギー研究所 2024-07-04 WO disclosed
EP-2168576-A2 New utilities of tricyclic compounds Shionogi & Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
EP-1239526-B1 Metal coordination compound, luminescence device and display apparatus CANON KK (JP) 2008-12-17 EP disclosed
US-7354662-B2 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2008-04-08 US disclosed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
US-20060022588-A1 Metal coordination compound, luminescence device and display apparatus CANON KABUSHIKI KAISHA (JP) 2006-02-02 US disclosed
US-6693223-B1 STRONG POLAR COMPOUND HAVING LARGE DIELECTRIC ANISOTROPY; EXERTS EXCELLENT THRESHOLD VOLTAGE REDUCING EFFECT; EXCELLENT MISCIBILITY WITH CONVENTIONAL LIQUID CRYSTAL MATERIALS DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-02-17 US disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
US-20030068536-A1 Such as bis(4-biphenyl-4-yl)pyridine-C3-N3)(acetylacetonato-) iridium (III); brightness; phosphorescence; graphic arts CANON KABUSHIKI KAISHA (JP) 2003-04-10 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-1239526-A2 Metal coordination compound, luminescene device and display apparatus CANON KABUSHIKI KAISHA (JP) 2002-09-11 EP disclosed
US-20020053659-A1 Fluorine-substituted-4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-09 US disclosed
US-6287646-B1 MIXTURES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-09-11 US disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed
EP-0919536-A1 Fluorine-substituted 4-alkenylbenzoic acid and derivatives thereof, and nematic liquid crystal composition containing cyanophenyl benzoate derivatives and liquid crystal display system using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-06-02 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 (4 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 NOTUM 208/4885MAPK13 2356/4885MAPK12 2455/4885
US-20060022588-A1 Metal coordination compound, luminescence device and display apparatus MCOLN2, MCOLN1, CYC1 NOTUM 4072/4885MAPK13 1769/4885MAPK12 2218/4885
US-20080318958-A1 New utilities of tricyclic compounds APOB, PON1, APOL1 NOTUM 1454/4885MAPK13 4735/4885MAPK12 4462/4885
US-20030068536-A1 Such as bis(4-biphenyl-4-yl)pyridine-C3-N3)(acetylacetonato-) iridium (III); brightness; phosphorescence; graphic arts CYC1, CYCS, CCNA1 NOTUM 4089/4885MAPK13 2738/4885MAPK12 2460/4885

“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.