SCHEMBL31247729

SCHEMBL31247729

CSc1ncccc1Nc1cc(Nc2cccc(C)n2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.54
▸ KMT2A Q03164 2/20 0.49
▸ ASIC3 Q9UHC3 2/20 0.44
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PPP1CA P62136 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39

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
SCHEMBL31247774 0.81 GRM5 (0.84) GRM5KMT2AASIC3EGFRERBB3
SCHEMBL31247703 0.80 GRM5 (0.48) GRM5KMT2AASIC3MAPTMEN1
SCHEMBL31247663 0.79 JAK2 (0.52) GRM5ASIC3JAK2JAK1TYK2
SCHEMBL31247652 0.79 GRM5 (0.45) GRM5ASIC3MAPTALDH1A1JAK2
SCHEMBL31247692 0.74 AURKA (0.47) GRM5NPC1RAB9ASMN1; SMN2JAK2
SCHEMBL31247639 0.74 GRM5 (0.62) GRM5ASIC3HIF1AHTT
SCHEMBL31247468 0.73 KDM4E (0.47) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL31300242 0.73 HTT (0.50) GRM5KMT2AASIC3MEN1RAB9A
SCHEMBL31247375 0.73 HTT (0.50) GRM5KMT2AASIC3MEN1RAB9A
SCHEMBL31247545 0.72 EGFR (0.52) GRM5ASIC3NPC1JAK2JAK1

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-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-20240425484-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-26 — — 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 (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-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 GRM5 1437/4885KMT2A 796/4885ASIC3 2671/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 GRM5 2396/4885KMT2A 228/4885ASIC3 2980/4885

“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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