Indazole

Indazole

SCHEMBL2267425

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1

nearest known ligand 0.66

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.66
IDO1 P14902 1/20 0.66
CDK2 P24941 1/20 0.66
ABCB1 P08183 1/20 0.58
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
JAK2 O60674 1/20 0.46
FGFR1 P11362 1/20 0.45
METAP2 P50579 1/20 0.45
DYRK3 O43781 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
Indazole SCHEMBL2267429 1.00 HSP90AA1 (0.66) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL20239569 1.00 HSP90AA1 (0.66) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL29627950 1.00 HSP90AA1 (0.66) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL8415085 0.87 HSP90AA1 (0.79) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL28043445 0.85 HSP90AA1 (0.76) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL1162915 0.85 HSP90AA1 (0.76) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL1574644 0.84 HSP90AA1 (0.73) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL2029058 0.84 HSP90AA1 (0.73) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL27865905 0.84 HSP90AA1 (0.73) HSP90AA1IDO1CDK2ABCB1CTNNB1
Indazole SCHEMBL1854887 0.84 HSP90AA1 (0.73) HSP90AA1IDO1CDK2ABCB1CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 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-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 HSP90AA1 2088/4885IDO1 528/4885CDK2 187/4885

“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.