SCHEMBL20176363

SCHEMBL20176363

Cc1cc2c(cn1)OCc1cc(O)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.51
ROCK2 O75116 4/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ESRRB O95718 1/20 0.36
ESRRA P11474 1/20 0.36

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
SCHEMBL20176327 0.85 AAK1 (0.51) AAK1ROCK2MAPT
SCHEMBL20176364 0.80 AAK1 (0.60) AAK1ROCK2ALDH1A1MAPTRAB9A
SCHEMBL19946077 0.80 AAK1 (0.56) AAK1ROCK2ALDH1A1MAPTRAB9A
SCHEMBL19946079 0.79 AAK1 (0.53) AAK1ROCK2ALDH1A1MAPTRAB9A
SCHEMBL19946056 0.78 AAK1 (0.61) AAK1ROCK2
SCHEMBL26768871 0.76 ESR1 (0.43) ALDH1A1MAPTRAB9AHSP90AA1ESR1
SCHEMBL802750 0.76 MAOA (0.49) ALDH1A1MAPTRAB9AESR1ESR2
SCHEMBL30577530 0.76 MAOA (0.49) ALDH1A1MAPTRAB9AESR1ESR2
SCHEMBL3198655 0.74 ALDH1A1 (0.41) ROCK2ALDH1A1MAPTRAB9AHSP90AA1
SCHEMBL26768220 0.72 MAOB (0.42) AAK1ROCK2ALDH1A1MAPTRAB9A

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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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-20180141956-A1 FUSED PYRIDINES AS KINASE INHIBITORS AAK1, NCK1, ADCK1 AAK1 1/4885ROCK2 966/4885ALDH1A1 3732/4885

“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.