SCHEMBL13236422

SCHEMBL13236422

Oc1nc(Cl)nc2ccsc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.53
▸ ADORA1 P30542 6/20 0.53
▸ AXL P30530 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43
▸ TUBA1A Q71U36 2/20 0.43
▸ TUBA1C Q9BQE3 2/20 0.43
▸ TUBB6 Q9BUF5 2/20 0.43
▸ TUBB2B Q9BVA1 2/20 0.43
▸ TUBB1 Q9H4B7 2/20 0.43

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
SCHEMBL55563 0.81 ADORA2A (0.58) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL31462939 0.81 ADORA2A (0.58) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL29893499 0.79 AXL (0.39) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL55302 0.79 AXL (0.39) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL8945519 0.76 AXL (0.37) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL5334843 0.76 ADORA2A (0.50) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL61922 0.76 ADORA2A (0.53) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL9383494 0.76 ADORA2A (0.53) ADORA2AADORA1AXLMKNK1MKNK2
SCHEMBL14103742 0.75 RAB9A (0.43) AXLMKNK1MKNK2MAPTMEN1
SCHEMBL16505979 0.74 CDK9 (0.48) ADORA2AADORA1AXLMKNK1MKNK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106731-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES SPECTRUM PHARMACEUTICALS, INC. (US) 2023-04-06 — — US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 — — US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 — — US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 — — US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 — — US 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-20230106731-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES ERBB2, EGFR, ERBB3 ADORA2A 4335/4885ADORA1 4511/4885AXL 83/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 ADORA2A 367/4885ADORA1 216/4885AXL 235/4885

“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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