SCHEMBL19886641

SCHEMBL19886641

NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.70
▸ ROCK1 Q13464 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1105008 0.75 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL16457017 0.75 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL23453149 0.70 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL2775983 0.69 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL19886623 0.69 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21194004 0.69 PNMT (0.62) ROCK2MEN1ALDH1A1CYP1A2POLB
SCHEMBL27865909 0.69 PNMT (0.62) ROCK2MEN1ALDH1A1CYP1A2POLB
SCHEMBL3336636 0.67 F9 (0.43) ROCK2ROCK1ALDH1A1
SCHEMBL21656352 0.67 PNMT (0.56) ROCK2MEN1ALDH1A1CYP1A2POLB
SCHEMBL1105175 0.67 ROCK2 (0.46) ROCK2ROCK1CYP1A2CYP3A4CYP2C9

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-9963432-B2 Beta-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-20180050990-A1 BETA-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2018-02-22 — — 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-20180050990-A1 BETA-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, BCAT2, BCAT1 ROCK2 129/4885ROCK1 223/4885MEN1 3081/4885

“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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