SCHEMBL31247594

SCHEMBL31247594

Cc1cccnc1Nc1cc(Nc2ccccc2C#N)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.43
▸ MAPK10 P53779 1/20 0.42
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TNNI3K Q59H18 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ GCK P35557 1/20 0.38
▸ BCL6 P41182 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL10094594 0.87 HPGD (0.48) AURKAHPGDALDH1A1NPC1RAB9A
SCHEMBL31247548 0.80 AURKA (0.48) AURKAMAPK10HPGDALDH1A1NPC1
SCHEMBL31247588 0.78 AURKA (0.55) AURKAMAPK10LRRK2KDR
SCHEMBL31247617 0.77 AURKA (0.57) AURKAMAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL31247692 0.76 AURKA (0.47) AURKANPC1RAB9ASMN1; SMN2LRRK2
SCHEMBL31247511 0.76 TYK2 (0.53) AURKAMAPK10HPGDALDH1A1NPC1
SCHEMBL20240627 0.76 HPGD (0.54) MAPK10HPGDALDH1A1NPC1RAB9A
SCHEMBL31247399 0.76 AURKA (0.48) AURKAMAPK10HPGDSMN1; SMN2TSHR
SCHEMBL31247770 0.74 AURKA (0.43) AURKATNNI3KLRRK2NPSR1KDR
SCHEMBL31247576 0.74 GRM5 (0.55) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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 150/4885MAPK10 309/4885HPGD 4472/4885
US-20260048051-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE TYK2, FRK, DYRK2 AURKA 1353/4885MAPK10 480/4885HPGD 4439/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 AURKA 150/4885MAPK10 309/4885HPGD 4472/4885
US-20240425484-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 AURKA 150/4885MAPK10 309/4885HPGD 4472/4885

“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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