SCHEMBL2127352

SCHEMBL2127352

Clc1cc(-c2ccc3ccccc3c2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
AR P10275 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 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
SCHEMBL2126907 0.87 CYP1A2 (0.60) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27908366 0.85 CYP1A2 (0.58) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL18731739 0.81 CYP1A1 (0.66) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23008424 0.80 CYP1A1 (0.64) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14725249 0.80 CYP1A1 (0.54) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL20137316 0.79 ASIC3 (0.55) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL632053 0.79 ASIC3 (0.59) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29392239 0.79 ASIC3 (0.59) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13934776 0.79 CYP1A2 (0.47) CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL16659314 0.79 KMO (0.57) CYP1A2SMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985223-B2 Iridium organometallic complexes comprising 4-arylpyrimidines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed
US-9985223-B2 Iridium organometallic complexes comprising 4-arylpyrimidines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed
US-9985223-B2 Iridium organometallic complexes comprising 4-arylpyrimidines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-05-29 US disclosed
US-20160064678-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-03-03 US disclosed
US-20160064678-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-03-03 US disclosed
US-20160064678-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-03-03 US disclosed
US-9184398-B2 Light-emitting elements comprising iridium organometallic complexes comprising 4-arylpyrimidines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-10 US disclosed
US-9184398-B2 Light-emitting elements comprising iridium organometallic complexes comprising 4-arylpyrimidines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-10 US disclosed
US-9184398-B2 Light-emitting elements comprising iridium organometallic complexes comprising 4-arylpyrimidines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-10 US disclosed
US-20150108462-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LAB (JP) 2015-04-23 US disclosed
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP disclosed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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 (1 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CYP1A2 2520/4885SMN1; SMN2 1750/4885ALDH1A1 2250/4885

“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.