SCHEMBL431447

SCHEMBL431447

c1ccc(-c2cccc3c2sc2c(-c4ccccc4-c4ccccc4-c4cccc5c4sc4c(-c6ccccc6)cccc45)cccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.54
ALOX5 P09917 1/20 0.45
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
TNK2 Q07912 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL16182165 0.98 LIMK1 (0.53) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL431833 0.96 LIMK1 (0.51) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL431939 0.96 LIMK1 (0.50) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL14101424 0.96 LIMK1 (0.57) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL17167409 0.93 LIMK1 (0.56) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL18435734 0.91 LIMK1 (0.54) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL22151553 0.91 LIMK1 (0.54) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL431838 0.88 ALOX5 (0.47) LIMK1ALOX5PARP14MAPK1CYP1A1
SCHEMBL21239106 0.88 LIMK1 (0.46) LIMK1ALOX5CYP17A1CYP1A2MAP4K4
SCHEMBL16855597 0.87 ALDH1A1 (0.55) LIMK1ALOX5CYP17A1CYP1A2MAP4K4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 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-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP2J2, CYP1A1, CRY1 LIMK1 1364/4885ALOX5 2991/4885CYP17A1 1461/4885

“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.