SCHEMBL10080949

SCHEMBL10080949

CC(C)c1cccc(-c2ccn(C)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ KEAP1 Q14145 1/20 0.49
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ JAK2 O60674 4/20 0.38
▸ CYP19A1 P11511 1/20 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
SCHEMBL24378457 0.88 KMT2A (0.55) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL24378630 0.87 KMT2A (0.53) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL9258776 0.78 KEAP1 (0.66) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL21282892 0.78 MKNK1 (0.50) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL14896385 0.77 PHGDH (0.45) KMT2A
SCHEMBL14896387 0.77 PHGDH (0.45) KMT2A
SCHEMBL26197730 0.77 KMT2A (0.74) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL2629317 0.77 KMT2A (0.62) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA
SCHEMBL3626772 0.76 CTSS (0.50) KMT2ACTSSCTSKRXRARXRB
SCHEMBL9389147 0.75 KMT2A (0.60) KMT2AKEAP1PIK3CDPIP5K1CPIK3CA

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
WO-2023107603-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 — — 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 (1 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-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG KMT2A 2972/4885KEAP1 1531/4885CTSS 3105/4885

“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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