SCHEMBL31247430

SCHEMBL31247430

Cc1cnnc(Nc2cc(Nc3ccccc3C#N)ncn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.40
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TNNI3K Q59H18 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TTK P33981 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL31247548 0.84 AURKA (0.48) AURKAFLT1FLT4KDRLRRK2
SCHEMBL31247770 0.78 AURKA (0.43) AURKAFLT1FLT4KDRIRAK4
SCHEMBL31247692 0.78 AURKA (0.47) AURKAKDRIRAK4LRRK2NPC1
SCHEMBL31247588 0.77 AURKA (0.55) AURKAFLT1FLT4KDRIRAK4
SCHEMBL31247343 0.76 TYK2 (0.47) AURKACHEK1MAPK10
SCHEMBL31247399 0.74 AURKA (0.48) AURKAFLT1FLT4KDRIRAK4
SCHEMBL31247412 0.74 LRRK2 (0.47) AURKAIRAK4LRRK2
SCHEMBL31247594 0.74 AURKA (0.43) AURKAKDRLRRK2ALDH1A1HPGD
SCHEMBL31247617 0.73 AURKA (0.57) AURKAFLT1FLT4KDRIRAK4
SCHEMBL31247785 0.69 AURKA (0.41) AURKAFLT1FLT4KDRIRAK4

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 AURKA 150/4885FLT1 1016/4885FLT4 1954/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 AURKA 1353/4885FLT1 859/4885FLT4 1001/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 AURKA 150/4885FLT1 1016/4885FLT4 1954/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 AURKA 150/4885FLT1 1016/4885FLT4 1954/4885

“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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