SCHEMBL19997306

SCHEMBL19997306

CCC(=O)c1cn2ccnc(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RIPK1 Q13546 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SPTLC1 O15269 1/20 0.31
TMIGD3 P0DMS9 2/20 0.31
EPHB4 P54760 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL17324744 0.83 ROCK1 (0.45) ROCK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL6934846 0.82 KDM4E (0.56) ROCK1ALDH1A1KDM4EHPGDPOLB
SCHEMBL7355933 0.81 ROCK1 (0.46) ROCK1ALDH1A1HPGDSMN1; SMN2TMIGD3
SCHEMBL14605053 0.79 ROCK1 (0.45) ROCK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL17321402 0.79 ROCK1 (0.43) ROCK1ALDH1A1KDM4EHPGDTMIGD3
SCHEMBL2871017 0.73 PDE10A (0.34) ROCK1ALDH1A1KDM4ENPC1POLB
SCHEMBL20595996 0.71 KDM4E (0.43) ALDH1A1KDM4EHPGDPOLBRAB9A
SCHEMBL2179459 0.71 L3MBTL1 (0.41) ROCK1ALDH1A1KDM4EHPGDNPC1
SCHEMBL31285488 0.70 KDM4E (0.56) ALDH1A1KDM4EHPGDPOLB
SCHEMBL19997261 0.70 HRH4 (0.57) ROCK1ALDH1A1KDM4EHPGDRIPK1

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 3 patents. 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-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

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-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ROCK1 3/4885ALDH1A1 2535/4885KDM4E 1119/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ROCK1 3/4885ALDH1A1 2535/4885KDM4E 1119/4885

“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.