SCHEMBL25357791

SCHEMBL25357791

CC(C)n1nc(CC(=O)Nc2cn3cc(Br)ncc3n2)c(=O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.53
▸ NTRK1 P04629 6/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ AKR1B1 P15121 2/20 0.35
▸ RIPK1 Q13546 4/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL25357321 0.78 NLRP3 (0.53) NLRP3NTRK1AKR1B1TRPV1
SCHEMBL29492112 0.78 NLRP3 (0.53) NLRP3NTRK1AKR1B1TRPV1
SCHEMBL29492084 0.76 POLB (0.48) NLRP3AKR1B1
SCHEMBL25359650 0.73 NLRP3 (0.51) NLRP3NTRK1AKR1B1KMT2A
SCHEMBL26909947 0.70 NLRP3 (0.47) NLRP3
SCHEMBL29492205 0.70 NLRP3 (0.43) NLRP3AKR1B1MEN1KMT2A
SCHEMBL29492036 0.69 NLRP3 (1.00) NLRP3NTRK1
SCHEMBL25357509 0.66 NLRP3 (0.38) NLRP3AKR1B1TRPV1
SCHEMBL29492185 0.65 NLRP3 (0.64) NLRP3AKR1B1MEN1CYP1A2CYP2C9
SCHEMBL3710368 0.65 PIK3CA (0.42) PIK3CA

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
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 — — EP disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 — — US disclosed
EP-4217346-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
WO-2022063876-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 — — WO 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-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 NLRP3 1/4885NTRK1 3676/4885ROCK2 3132/4885

“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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