SCHEMBL21315924

SCHEMBL21315924

C1=Cc2c(sc3ccncc23)C=NC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 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
SCHEMBL21315915 0.71 — —
SCHEMBL21315925 0.69 LIMK1 (0.36) —
SCHEMBL21315919 0.69 LIMK1 (0.35) —
SCHEMBL20427622 0.68 CYP2A6 (0.32) CYP2A6
SCHEMBL21315930 0.67 AXL (0.31) —
SCHEMBL11884982 0.67 CYP2A6 (0.42) CYP2A6
SCHEMBL24061467 0.64 CHRNB2 (0.31) —
SCHEMBL21315928 0.64 TDO2 (0.35) —
SCHEMBL11884987 0.60 KDM4E (0.40) CYP2A6
SCHEMBL24623693 0.59 CYP2A6 (0.37) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10403826-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-03 — — 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-10403826-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, JUND CYP2A6 2259/4885

“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.

Send feedback