SCHEMBL17321432

SCHEMBL17321432

CC(C)C(=O)c1nn(CCO)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.47
▸ CNR2 P34972 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ROCK1 Q13464 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTR3A P46098 5/20 0.43
▸ HTR4 Q13639 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ GLS O94925 1/20 0.40

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
SCHEMBL17321443 0.92 CNR1 (0.51) CNR1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL17170596 0.89 HTR3A (0.54) CNR1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL19676614 0.86 CNR1 (0.63) CNR1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL17885844 0.85 CNR1 (0.46) CNR1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL17321430 0.85 KDM4E (0.48) CNR1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL17321422 0.85 ROCK1 (0.46) CNR1CNR2KDM4EROCK1CYP1A2
SCHEMBL17324729 0.84 CNR1 (0.44) CNR1CNR2KDM4EROCK1CYP1A2
SCHEMBL17321434 0.83 CYP1A2 (0.44) CNR1CNR2KDM4ECYP1A2CYP3A4
SCHEMBL17321441 0.83 CNR1 (0.51) CNR1CNR2KDM4ECYP3A4HTR3A
SCHEMBL17321428 0.82 CYP1A2 (0.42) CNR1CNR2KDM4ECYP1A2CYP3A4

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 6 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-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
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

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 CNR1 3961/4885CNR2 3572/4885KDM4E 1029/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 CNR1 3949/4885CNR2 3491/4885KDM4E 1119/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 CNR1 3949/4885CNR2 3491/4885KDM4E 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.

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