SCHEMBL17341871

SCHEMBL17341871

Cc1sc2ccncc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
ROCK1 Q13464 1/20 0.37
CYP2A6 P11509 7/20 0.36
AXL P30530 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TOP2A P11388 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13723718 0.83 KDM4E (0.41) ROCK1CYP2A6AXLEP300KAT2B
SCHEMBL3963141 0.80 AXL (0.39) ACHEROCK1CYP2A6AXLEP300
SCHEMBL7448773 0.80 ROCK1 (0.38) ACHEROCK1CYP2A6AXLEP300
SCHEMBL31078826 0.80 EP300 (0.39) ACHEROCK1CYP2A6AXLEP300
SCHEMBL23479788 0.77 ACHE (0.34) ACHEROCK1CYP2A6AXLEP300
SCHEMBL17340878 0.77 ACHE (0.34) ACHEROCK1CYP2A6AXLEP300
SCHEMBL19135538 0.77 ACHE (0.38) ACHEROCK1CYP2A6AXLEP300
SCHEMBL23478499 0.77 ACHE (0.34) ACHEROCK1CYP2A6CYP1A2CYP2D6
SCHEMBL11884982 0.77 CYP2A6 (0.42) ACHEROCK1CYP2A6AXLEP300
SCHEMBL724181 0.76 CYP2A6 (0.44) ACHEROCK1CYP2A6HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
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
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 ACHE 341/4885ROCK1 2805/4885CYP2A6 3216/4885

“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.