SCHEMBL17340894

SCHEMBL17340894

Cc1c(C(C)(C)C)sc2cc(C#N)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.39
▸ CSNK1G2 P78368 1/20 0.39
▸ KIF11 P52732 1/20 0.36
▸ G6PD P11413 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ APP P05067 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ CLK1 P49759 1/20 0.30
▸ SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL13730381 0.80 ALDH1A1 (0.39) CSNK1DCSNK1G2G6PDALDH1A1CYP2A6
SCHEMBL22857663 0.78 BCL2L1 (0.40) CYP2A6
SCHEMBL17340883 0.77 CSNK1D (0.39) CSNK1DCSNK1G2KIF11G6PDALDH1A1
SCHEMBL24617017 0.75 CSNK1D (0.49) CSNK1DCSNK1G2KIF11G6PDDYRK1A
SCHEMBL549183 0.74 G6PD (0.45) G6PDALDH1A1CYP2A6DYRK1AMIF
SCHEMBL17341212 0.74 CYP2A6 (0.39) G6PDALDH1A1CYP2A6DYRK1AMIF
SCHEMBL19135535 0.74 G6PD (0.35) CSNK1DCSNK1G2G6PDALDH1A1CYP2A6
SCHEMBL4195351 0.73 ENPP2 (0.38) CSNK1DCSNK1G2G6PDALDH1A1CYP2A6
SCHEMBL29956540 0.73 ENPP2 (0.38) CSNK1DCSNK1G2G6PDALDH1A1CYP2A6
SCHEMBL18347531 0.73 ALDH1A1 (0.48) CSNK1DCSNK1G2G6PDALDH1A1CYP2A6

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-9708528-B2 Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof THE UNIVERSITY OF HONG KONG (HK) 2017-07-18 — — US disclosed
US-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (HK) 2015-12-17 — — 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-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF CRY1, CRY2, P2RY10 CSNK1D 2378/4885CSNK1G2 2578/4885KIF11 3699/4885

“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.

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