SCHEMBL17311751

SCHEMBL17311751

CC(C)Oc1ccc2c(c1)N(C(=O)O)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NOTUM Q6P988 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CRHBP P24387 1/20 0.45
MAPK1 P28482 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.42
BIRC2 Q13490 1/20 0.42
HTR2C P28335 1/20 0.41
RAB9A P51151 1/20 0.41
ACACB O00763 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ROCK1 Q13464 1/20 0.39

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
SCHEMBL26922623 0.85 SMN1; SMN2 (0.47) LMNATP53TSHRALDH1A1HPGD
SCHEMBL7984550 0.85 NOTUM (0.60) TSHRALDH1A1NOTUMSMN1; SMN2MAPK1
SCHEMBL15897911 0.82 CHRM4 (0.48) LMNATP53TSHRALDH1A1HPGD
SCHEMBL21753253 0.78 ACACB (0.46) ALDH1A1HPGDSMN1; SMN2KMT2AACACB
SCHEMBL17311701 0.77 ROCK2 (0.52) LMNATP53TSHRNOTUMSMN1; SMN2
SCHEMBL30804503 0.77 HSD17B10 (0.60) LMNATSHRALDH1A1HPGDNOTUM
SCHEMBL17785903 0.76 NOTUM (0.44) LMNATP53TSHRALDH1A1HPGD
SCHEMBL2580108 0.75 ABCB1 (0.49) HPGDKMT2AACACBMEN1
SCHEMBL15880799 0.75 HRH3 (0.58) TP53TSHRNOTUMSMN1; SMN2L3MBTL1
SCHEMBL15880597 0.74 NOTUM (0.49) LMNATP53TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
EP-2945943-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 EP 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 (3 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 LMNA 1663/4885TP53 1789/4885TSHR 3770/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 LMNA 1724/4885TP53 1978/4885TSHR 3712/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 LMNA 1724/4885TP53 1978/4885TSHR 3712/4885

“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.