SCHEMBL30973451

SCHEMBL30973451

Cc1c(Cl)nnc2c1ccn2[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
SRC P12931 4/20 0.40
EGFR P00533 2/20 0.40
FPR2 P25090 1/20 0.40
HPGDS O60760 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
BTK Q06187 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APLNR P35414 1/20 0.37
ABL1 P00519 1/20 0.37
ABL2 P42684 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
HTR6 P50406 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
SCHEMBL13861580 0.83 SRC (0.48) HCAR1JAK2JAK1SRCEGFR
SCHEMBL28607223 0.83 HCAR1 (0.41) HCAR1JAK2JAK1SRCEGFR
SCHEMBL13861581 0.83 SRC (0.48) HCAR1JAK2JAK1SRCEGFR
SCHEMBL31265017 0.82 HCAR1 (0.44) HCAR1JAK2JAK1SRCEGFR
SCHEMBL30994032 0.81 SRC (0.42) HCAR1JAK2JAK1SRCEGFR
SCHEMBL30973548 0.81 SRC (0.42) HCAR1SRCEGFRFPR2HPGDS
SCHEMBL30994012 0.78 SRC (0.41) HCAR1JAK2JAK1SRCEGFR
SCHEMBL28902638 0.77 SRC (0.57) HCAR1SRCEGFRBTKABL1
SCHEMBL29927091 0.77 SRC (0.57) HCAR1SRCEGFRBTKABL1
SCHEMBL28902640 0.77 SRC (0.57) HCAR1SRCEGFRBTKABL1

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-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024249539-A1 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-12-05 WO disclosed
US-20240400571-A1 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 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-20240400571-A1 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 NOD1, NLRP3, FABP3 HCAR1 14/4885JAK2 4037/4885JAK1 3285/4885

“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.