SCHEMBL31691996

SCHEMBL31691996

COc1ccnc(C(C)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.53
▸ CCR5 P51681 1/20 0.53
▸ CCR8 P51685 1/20 0.53
▸ NOS3 P29474 2/20 0.50
▸ NOS1 P29475 2/20 0.50
▸ NOS2 P35228 2/20 0.50
▸ PLAU P00749 1/20 0.42
▸ DYRK1A Q13627 4/20 0.40
▸ AHR P35869 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2E1 P05181 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL31672761 1.00 CCR1 (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL1662456 0.86 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL2739650 0.84 CCR1 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL30755909 0.81 MAOA (0.41) CCR1CCR5CCR8NOS2DYRK1A
SCHEMBL15212096 0.78 NOS3 (0.57) CCR1CCR5CCR8NOS3NOS1
SCHEMBL11327112 0.78 CCR1 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL21784460 0.78 CCR1 (0.50) CCR1CCR5CCR8NOS3NOS1
SCHEMBL30753289 0.78 CCR1 (0.46) CCR1CCR5CCR8NOS3NOS1
SCHEMBL23743940 0.77 CCR1 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL18523243 0.77 CCR1 (0.48) CCR1CCR5CCR8NOS3NOS1

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-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 — — 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-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 CCR1 4647/4885CCR5 3632/4885CCR8 4440/4885

“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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