SCHEMBL2129016

SCHEMBL2129016

Cc1ccccc1-c1ncnc(-c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
ADORA2A P29274 2/20 0.43
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
DPP4 P27487 1/20 0.41
FFAR2 O15552 1/20 0.41
CYP1A2 P05177 6/20 0.41
CYP2D6 P10635 6/20 0.41
CYP2C19 P33261 6/20 0.41
CLK4 Q9HAZ1 5/20 0.41
CYP3A4 P08684 4/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 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
SCHEMBL29403276 1.00 ALDH1A1 (0.43) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL28098704 0.98 ALDH1A1 (0.42) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL29580367 0.98 ALDH1A1 (0.42) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL28235185 0.98 ALDH1A1 (0.42) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL21128382 0.90 MAPK13 (0.46) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL19537684 0.86 ADORA2A (0.54) ALDH1A1RAB9ASMN1; SMN2HPGDADORA2A
SCHEMBL31452833 0.84 PTGS1 (0.44) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL25490532 0.80 ALDH1A1 (0.39) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL27908489 0.78 DPP4 (0.53) ALDH1A1RAB9ASMN1; SMN2ADORA2ADPP4
SCHEMBL2127085 0.78 MAPK13 (0.41) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1

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 21 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
CN-106083936-A Organometallic complex, light-emitting component, light-emitting device, electronic equipment and illuminator 株式会社半导体能源研究所 2016-11-09 CN 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
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
US-8921548-B2 4-arylpyrimidine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-12-30 US disclosed
US-8921548-B2 4-arylpyrimidine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-12-30 US disclosed
US-8921548-B2 4-arylpyrimidine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-12-30 US disclosed
US-20120098417-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-04-26 US disclosed
US-20120098417-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-04-26 US disclosed
US-20120098417-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-04-26 US disclosed
WO-2012053627-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-04-26 WO disclosed
WO-2012053627-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-04-26 WO 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-20120098417-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device NR2E3, IGF1R, GRIA1 ALDH1A1 24/4885TSHR 1184/4885RAB9A 2916/4885

“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.