SCHEMBL30120938

SCHEMBL30120938

Nc1ncnc2c1c(-c1ccc3c(c1F)CCN3C(=O)Cc1cccc(C(F)(F)F)c1)nn2C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 16/20 0.59
▸ EIF2AK3 Q9NZJ5 4/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ EIF2AK2 P19525 3/20 0.55
▸ EIF2AK1 Q9BQI3 3/20 0.55
▸ CYP2C8 P10632 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ NTRK1 P04629 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ YES1 P07947 1/20 0.55
▸ RET P07949 1/20 0.55
▸ KIT P10721 1/20 0.55
▸ AXL P30530 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ NEK4 P51957 1/20 0.55
▸ MAP3K9 P80192 1/20 0.55
▸ MAP3K10 Q02779 1/20 0.55
▸ MERTK Q12866 1/20 0.55

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
SCHEMBL24651066 1.00 RIPK1 (0.59) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL25793432 0.89 RIPK1 (0.48) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL30120809 0.87 RIPK1 (0.61) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL24650646 0.87 RIPK1 (0.61) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL30120799 0.84 RIPK1 (0.48) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL24650631 0.84 RIPK1 (0.48) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL24650695 0.82 EIF2AK3 (0.47) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL30120848 0.82 EIF2AK3 (0.47) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL30120757 0.82 RIPK1 (0.49) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2
SCHEMBL24650623 0.82 RIPK1 (0.49) RIPK1EIF2AK3CYP3A4CYP2C9EIF2AK2

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-20240382488-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-11-21 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
WO-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — 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 (2 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-20240382488-A1 NEK7 INHIBITORS NEK7, NEK11, NEK2 RIPK1 537/4885EIF2AK3 2387/4885CYP3A4 2703/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 RIPK1 20/4885EIF2AK3 1310/4885CYP3A4 4174/4885

“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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