SCHEMBL3704228

SCHEMBL3704228

Nc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.72
ROCK1 Q13464 5/20 0.48
ROCK2 O75116 3/20 0.48
KDM4E B2RXH2 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
NR4A2 P43354 1/20 0.43
PRKCZ Q05513 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAP3K11 Q16584 1/20 0.41
NAMPT P43490 1/20 0.41
MAPT P10636 2/20 0.41
AURKA O14965 1/20 0.41
THRB P10828 1/20 0.41
CASP1 P29466 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41

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
SCHEMBL4208272 0.84 PARP1 (1.00) PARP1ROCK1ROCK2KDM4ENR4A2
SCHEMBL15893959 0.81 PARP1 (0.72) PARP1ROCK1ROCK2KDM4ETNKS
SCHEMBL14826545 0.81 PARP1 (0.72) PARP1ROCK1ROCK2KDM4ETNKS
SCHEMBL10768605 0.79 NR4A2 (0.68) KDM4ENR4A2PRKCZALDH1A1MAPT
SCHEMBL1720510 0.78 PARP1 (0.72) PARP1ROCK1ROCK2KDM4EALDH1A1
SCHEMBL28860747 0.77 PARP1 (0.66) PARP1ROCK1ROCK2KDM4ETNKS
SCHEMBL19675720 0.77 PARP1 (0.66) PARP1ROCK1ROCK2KDM4ENR4A2
SCHEMBL15893952 0.77 PARP1 (0.66) PARP1ROCK1ROCK2KDM4ENR4A2
SCHEMBL8690342 0.74 PARP1 (0.59) PARP1KDM4ETNKSTNKS2ALDH1A1
SCHEMBL15897861 0.74 PARP1 (0.65) PARP1ROCK1ROCK2KDM4ENAMPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 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
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
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 US disclosed
EP-2945943-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2015-11-25 EP disclosed
US-20140206686-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
WO-2014113620-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-24 WO disclosed
WO-2014113620-A2 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-24 WO disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (6 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK PARP1 737/4885ROCK1 13/4885ROCK2 11/4885
US-20140206686-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PARP1 677/4885ROCK1 3/4885ROCK2 5/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 PARP1 1199/4885ROCK1 8/4885ROCK2 7/4885
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PARP1 627/4885ROCK1 3/4885ROCK2 5/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 PARP1 677/4885ROCK1 3/4885ROCK2 5/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 PARP1 677/4885ROCK1 3/4885ROCK2 5/4885

“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.