SCHEMBL31247628

SCHEMBL31247628

COc1ccnc(Nc2cc(N)ncn2)c1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ EGFR P00533 6/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL31247612 0.77 CDK1 (0.42) JAK2TYK2EGFRSCN9ANOS3
SCHEMBL31247523 0.73 GRM5 (0.58) JAK2TYK2GRM5ASIC3SCN9A
SCHEMBL31247578 0.69 MEN1 (0.40) EGFRSCN9APLA2G2ANOS3NOS1
SCHEMBL31247467 0.68 GRM5 (0.43) JAK2TYK2EGFRGRM5ASIC3
SCHEMBL15711339 0.67 EGFR (0.42) EGFRSCN9AMEN1KMT2AUSP2
SCHEMBL10187337 0.65 MEN1 (0.81) EGFRSCN9AMEN1KMT2AALDH1A1
SCHEMBL31247403 0.65 SYK (0.42) JAK2TYK2EGFRASIC3SCN9A
SCHEMBL29919700 0.64 SCN9A (0.53) JAK2TYK2EGFRSCN9ACDK1
SCHEMBL31247573 0.64 KDM4E (0.57) JAK2SCN9ANOS3NOS1NOS2
SCHEMBL28936140 0.64 SCN9A (0.53) JAK2TYK2EGFRSCN9ACDK1

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 JAK2 16/4885TYK2 1/4885EGFR 121/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 JAK2 3/4885TYK2 1/4885EGFR 700/4885

“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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