SCHEMBL31247545

SCHEMBL31247545

Cc1cccc(Nc2cc(Cl)ncn2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
ERBB3 P21860 1/20 0.52
GRM5 P41594 13/20 0.50
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.46
ASIC3 Q9UHC3 2/20 0.46
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
GSK3B P49841 1/20 0.45
JAK3 P52333 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL690354 0.84 EGFR (0.52) EGFRERBB3NPC1JAK2TYK2
SCHEMBL31247375 0.82 HTT (0.50) EGFRERBB3GRM5HTTASIC3
SCHEMBL31300242 0.82 HTT (0.50) EGFRERBB3GRM5HTTASIC3
SCHEMBL690511 0.81 EGFR (0.52) EGFRERBB3NPC1HTTJAK2
SCHEMBL229747 0.78 RAB9A (0.59) GRM5NPC1ASIC3L3MBTL1
SCHEMBL17264248 0.78 EGFR (0.47) EGFRERBB3NPC1JAK2MAP4K4
SCHEMBL16926595 0.77 GRM5 (0.54) GRM5ASIC3JAK2MAP4K4JAK1
SCHEMBL15533542 0.77 GRM5 (0.49) EGFRERBB3GRM5NPC1JAK2
SCHEMBL31247774 0.76 GRM5 (0.84) EGFRERBB3GRM5HTTASIC3
SCHEMBL25243763 0.75 POLB (0.46) EGFRERBB3NPC1JAK2MAP4K4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719394-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2026-04-08 EP disclosed
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ATOMWISE INC (US) 2026-02-19 US disclosed
US-12358904-B2 Inhibitors of TYK2 Atomwise Inc. (US) 2025-07-15 US disclosed
US-20240425484-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-26 US disclosed
US-20240417396-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-19 US disclosed
WO-2024250010-A2 INHIBITORS OF TYK2 Atomwise Inc. (US) 2024-12-05 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 (4 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-20240417396-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 EGFR 700/4885ERBB3 197/4885GRM5 2396/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 EGFR 121/4885ERBB3 41/4885GRM5 1437/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 EGFR 700/4885ERBB3 197/4885GRM5 2396/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 EGFR 700/4885ERBB3 197/4885GRM5 2396/4885

“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.