SCHEMBL18136166

SCHEMBL18136166

c1cc2[nH]ncc2cc1CCc1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.45
▸ GSK3B P49841 8/20 0.45
▸ JAK2 O60674 6/20 0.45
▸ AURKB Q96GD4 5/20 0.45
▸ NOS1 P29475 3/20 0.45
▸ METAP2 P50579 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ MAPK1 P28482 3/20 0.42
▸ ROCK1 Q13464 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GRIN2B Q13224 2/20 0.40

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
SCHEMBL8666610 0.83 NOS1 (0.57) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL6585051 0.75 ROCK2 (0.58) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL15185515 0.74 CTNNB1 (0.55) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL8220180 0.73 ROCK2 (0.54) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL27885403 0.73 MAPK1 (0.51) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL27995718 0.73 NOS1 (0.55) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL27998026 0.73 MAPK1 (0.56) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL28708392 0.73 GRIN2B (0.50) ROCK2GSK3BJAK2AURKBNOS1
SCHEMBL28046317 0.73 ROCK2 (0.46) ROCK2GSK3BNOS1METAP2CSNK2A1
SCHEMBL15602242 0.72 GSK3B (0.45) ROCK2GSK3BJAK2AURKBNOS1

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-9738628-B2 Substituted 1H-indazol-1-OL analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-22 — — US disclosed
US-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2016-10-13 — — 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-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, CTNNA1 ROCK2 2617/4885GSK3B 19/4885JAK2 3143/4885

“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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