SCHEMBL22962863

SCHEMBL22962863

Cc1cc2[nH]cnc(=O)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CHEK1 O14757 2/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ PDPK1 O15530 2/20 0.34
▸ PNP P00491 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PRNP P04156 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
SCHEMBL30402730 0.87 PARP1 (0.38) PARP1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL17030842 0.85 GRIN2D (0.46) PARP1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL12507039 0.85 IDO1 (0.43) PARP1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL3901620 0.83 SRC (0.38) PARP1MEN1KMT2APDPK1SMN1; SMN2
SCHEMBL11491570 0.80 MEN1 (0.46) PARP1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL1507612 0.77 PARP1 (0.54) PARP1MEN1KMT2ACHEK1PIM1
SCHEMBL19153238 0.77 MAPT (0.38) PARP1MEN1KMT2ACHEK1PIM1
SCHEMBL7657497 0.77 UHRF1 (0.35) PARP1MEN1KMT2ACHEK1PIM1
SCHEMBL29638516 0.77 PARP1 (0.54) PARP1MEN1KMT2ACHEK1PIM1
SCHEMBL13003705 0.77 PARP1 (0.54) PARP1MEN1KMT2ACHEK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 — — US disclosed
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 — — 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 PARP1 1914/4885MEN1 1849/4885KMT2A 1670/4885
US-20210040099-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 PARP1 1914/4885MEN1 1849/4885KMT2A 1670/4885

“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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