SCHEMBL24375261

SCHEMBL24375261

CC(C)(C)c1ccnc(NC2CC2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.44
LRRK2 Q5S007 2/20 0.40
ULK1 O75385 8/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
ULK2 Q8IYT8 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL23811546 0.78 LRRK2 (0.42) MALT1LRRK2ULK1IRAK4UTS2R
SCHEMBL14803665 0.74 GRM4 (0.42) LRRK2ULK1IRAK4ULK2UTS2R
SCHEMBL24126365 0.73 LRRK2 (0.45) LRRK2ULK1IRAK4
SCHEMBL24375255 0.71 LRRK2 (0.39) MALT1LRRK2ULK1IRAK4UTS2R
SCHEMBL14803613 0.69 LRRK2 (0.43) LRRK2ULK1
SCHEMBL14803591 0.69 KDM4E (0.47) LRRK2
SCHEMBL24375650 0.69 LRRK2 (0.37) MALT1LRRK2IRAK4UTS2R
SCHEMBL16662496 0.68 LRRK2 (0.41) MALT1LRRK2ULK1IRAK4UTS2R
SCHEMBL14803709 0.68 KDM4E (0.50) LRRK2TLR7
SCHEMBL25144321 0.67 OPRL1 (0.32)

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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2022-04-28 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-20220127271-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE PTPN1, PTPN7, PTPN9 MALT1 1238/4885LRRK2 850/4885ULK1 1818/4885

“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.