SCHEMBL31247626

SCHEMBL31247626

CSc1cccnc1Nc1ncnc(N)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KHK P50053 2/20 0.35
▸ HTT P42858 2/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ PIP4K2A P48426 1/20 0.32
▸ PIP4K2C Q8TBX8 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ TGFBR1 P36897 2/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ LIMK1 P53667 1/20 0.30

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
SCHEMBL31247704 0.76 JAK1 (0.40) HTTNOD2PIP4K2APIP4K2CPIK3CD
SCHEMBL31247523 0.75 GRM5 (0.58) GRM5L3MBTL1PIP4K2APIP4K2C
SCHEMBL30096779 0.70 GRM5 (0.54) GRM5L3MBTL1HTTNOS3NOS1
SCHEMBL7238942 0.70 GRM5 (0.54) GRM5L3MBTL1HTTNOS3NOS1
SCHEMBL23768088 0.68 GRM5 (0.56) GRM5L3MBTL1HTTMAPTKMT2A
SCHEMBL6186538 0.68 — —
Hydrochloric Acid SCHEMBL28654433 0.67 GRM5 (0.54) GRM5L3MBTL1HTTMAPTKMT2A
SCHEMBL31247774 0.65 GRM5 (0.84) GRM5HTTKMT2A
SCHEMBL24588139 0.64 GRM5 (0.51) GRM5L3MBTL1
SCHEMBL7229585 0.64 — —

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 1437/4885L3MBTL1 1941/4885KHK 741/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 GRM5 2396/4885L3MBTL1 1360/4885KHK 849/4885

“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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