SCHEMBL17321377

SCHEMBL17321377

CC(C)C(=O)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.59
▸ PHGDH O43175 13/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ AHR P35869 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MCL1 Q07820 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
SCHEMBL20646750 0.88 RXFP1 (0.46) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL43328 0.82 KDM4E (0.66) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL17324809 0.82 RXFP1 (0.64) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL13415456 0.81 RXFP1 (0.62) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL11965202 0.79 MCL1 (0.67) PHGDHMEN1KMT2AMCL1
SCHEMBL24198804 0.78 RXFP1 (0.59) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL1253301 0.78 RXFP1 (0.72) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL22022199 0.78 RXFP1 (0.59) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL4919697 0.78 L3MBTL1 (0.70) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL19997267 0.78 RXFP1 (0.59) RXFP1PHGDHMEN1KMT2AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 — — US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 — — 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 RXFP1 1737/4885PHGDH 2233/4885MEN1 576/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 RXFP1 1789/4885PHGDH 2215/4885MEN1 572/4885

“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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