SCHEMBL3302013

SCHEMBL3302013

CC1COCC2(c3cc(NC(=O)c4ccc(C#N)cn4)ccc3F)N=C(N)SCC12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
BACE2 Q9Y5Z0 7/20 0.74
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL3303008 1.00 BACE1 (0.74) BACE1BACE2CYP1A2CYP3A4CYP2D6
SCHEMBL3302019 1.00 BACE1 (0.74) BACE1BACE2CYP1A2CYP3A4CYP2D6
SCHEMBL1935126 0.92 BACE1 (0.73) BACE1BACE2
SCHEMBL1934702 0.92 BACE1 (0.73) BACE1BACE2
SCHEMBL3302823 0.90 BACE1 (0.71) BACE1BACE2
SCHEMBL3302829 0.90 BACE1 (0.71) BACE1BACE2
SCHEMBL7929481 0.90 BACE1 (0.69) BACE1BACE2CYP2D6KCNH2
SCHEMBL9913440 0.90 BACE1 (0.69) BACE1BACE2CYP2D6KCNH2
SCHEMBL3302846 0.90 BACE1 (0.69) BACE1BACE2CYP2D6KCNH2
SCHEMBL7924184 0.90 BACE1 (0.69) BACE1BACE2CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US claimed
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CYP1A2 1102/4885

“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.