SCHEMBL19631236

SCHEMBL19631236

N#Cc1ccc(C#N)c2sccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 1/20 0.37
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2A6 P11509 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL18879652 0.84 TSHR (0.38) NEK1IMPDH2IMPDH1DYRK1AKDM4E
SCHEMBL4804959 0.84 NEK1 (0.34) NEK1IMPDH2IMPDH1DYRK1A
SCHEMBL1363857 0.84 TRPV4 (0.37) NEK1DYRK1ACYP2A6
SCHEMBL3606665 0.84 NEK1 (0.34) NEK1DYRK1A
SCHEMBL24946535 0.79 NEK1 (0.34) NEK1IMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL4802256 0.79 IMPDH2 (0.54) IMPDH2IMPDH1KDM4EALDH1A1MAPT
SCHEMBL29558893 0.79 NEK1 (0.34) NEK1IMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL3602206 0.79 IMPDH2 (0.54) IMPDH2IMPDH1KDM4EALDH1A1MAPT
SCHEMBL3604859 0.74 AR (0.56) KDM4EALDH1A1MAPTAR
SCHEMBL22122277 0.72 CSNK2A2 (0.37) NEK1IMPDH2IMPDH1ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 NEK1 1552/4885IMPDH2 4164/4885IMPDH1 4115/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 NEK1 1552/4885IMPDH2 4164/4885IMPDH1 4115/4885

“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.