SCHEMBL31247703

SCHEMBL31247703

Cc1cccc(Nc2cc(Nc3cccnc3C#N)ncn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 12/20 0.48
▸ ASIC3 Q9UHC3 1/20 0.42
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB3 P21860 1/20 0.37
▸ SYK P43405 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL31247692 0.82 AURKA (0.47) GRM5JAK2JAK1TYK2JAK3
SCHEMBL31247576 0.81 GRM5 (0.55) GRM5ASIC3NPC1ALDH1A1POLB
SCHEMBL31247729 0.80 GRM5 (0.54) GRM5ASIC3JAK2JAK1TYK2
SCHEMBL31247586 0.79 GRM5 (0.44) GRM5JAK2JAK1TYK2JAK3
SCHEMBL31247717 0.79 GRM5 (0.44) GRM5JAK2JAK1TYK2JAK3
SCHEMBL31247663 0.77 JAK2 (0.52) GRM5ASIC3JAK2JAK1TYK2
SCHEMBL31247652 0.77 GRM5 (0.45) GRM5ASIC3JAK2JAK1TYK2
SCHEMBL31247774 0.73 GRM5 (0.84) GRM5ASIC3EGFRERBB3KMT2A
SCHEMBL31300242 0.71 HTT (0.50) GRM5ASIC3JAK2JAK1TYK2
SCHEMBL31247375 0.71 HTT (0.50) GRM5ASIC3JAK2JAK1TYK2

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 GRM5 2396/4885ASIC3 2980/4885JAK2 3/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 GRM5 1437/4885ASIC3 2671/4885JAK2 16/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 GRM5 2396/4885ASIC3 2980/4885JAK2 3/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 GRM5 2396/4885ASIC3 2980/4885JAK2 3/4885

“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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