SCHEMBL13730381

SCHEMBL13730381

Cc1sc2cc(C#N)ccc2c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ G6PD P11413 2/20 0.39
▸ DYRK1A Q13627 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ APP P05067 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CLK1 P49759 1/20 0.32
▸ STS P08842 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
SCHEMBL549183 0.80 G6PD (0.45) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL19135535 0.80 G6PD (0.35) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL17340894 0.80 CSNK1D (0.39) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL17340883 0.80 CSNK1D (0.39) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL17341212 0.80 CYP2A6 (0.39) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL29956540 0.78 ENPP2 (0.38) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL4195351 0.78 ENPP2 (0.38) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL18347531 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6G6PDDYRK1AMIF
SCHEMBL2904523 0.77 GPR35 (0.54) G6PDDYRK1AMIF
SCHEMBL13713801 0.74 BCL2L1 (0.44) ALDH1A1CYP2A6APPHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154990-B1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING UNIV HONG KONG (CN) 2019-09-11 — — EP disclosed
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
WO-2015188790-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (CN) 2015-12-17 — — WO 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
US-8444450-B2 Method for alternately expressing color-memorizing photochromic function in toy element, and an alternately color-memorizing photochromic toy THE PILOT INK CO., LTD. (JP) 2013-05-21 — — US disclosed
US-8444450-B2 Method for alternately expressing color-memorizing photochromic function in toy element, and an alternately color-memorizing photochromic toy THE PILOT INK CO., LTD. (JP) 2013-05-21 — — US disclosed
US-7575386-B2 Color-memorizing photochromic writing instrument, color-memorizing photochromic writing instrument set using the same and method for alternately expressing color-memorizing photochromic function of writing image THE PILOT INK CO., LTD. (JP) 2009-08-18 — — 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 ALDH1A1 2747/4885CYP2A6 3216/4885G6PD 897/4885

“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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