SCHEMBL18523243

SCHEMBL18523243

COc1ccnc(C(C)(C)SS)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.48
▸ CCR5 P51681 1/20 0.48
▸ CCR8 P51685 1/20 0.48
▸ NOS3 P29474 4/20 0.47
▸ NOS1 P29475 4/20 0.47
▸ NOS2 P35228 4/20 0.47
▸ PLAU P00749 1/20 0.39
▸ DYRK1A Q13627 5/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ ACHE P22303 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP4B1 P13584 1/20 0.33
▸ CYP2B6 P20813 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
SCHEMBL2739650 0.80 CCR1 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL31672761 0.77 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL31691996 0.77 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL23743940 0.76 CCR1 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL1662456 0.74 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL11327112 0.74 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL15212096 0.74 NOS3 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21784460 0.74 CCR1 (0.50) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21718449 0.71 CCR1 (0.47) CCR1CCR5CCR8NOS3NOS1
SCHEMBL22601564 0.70 CA1 (0.41) PLAUCYP1A2CYP2C9CYP2C19LMNA

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-9745286-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-08-29 — — US disclosed
US-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 — — 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-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 CCR1 2168/4885CCR5 1098/4885CCR8 1294/4885

“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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