SCHEMBL17324668

SCHEMBL17324668

CCCCOCCn1nc(C(C)=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.48
▸ CNR2 P34972 6/20 0.48
▸ PKM P14618 1/20 0.44
▸ HTR3A P46098 3/20 0.42
▸ ELANE P08246 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ CFD P00746 1/20 0.40
▸ PARP1 P09874 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
SCHEMBL17324752 0.95 CNR1 (0.51) CNR1CNR2PKMHTR3AELANE
SCHEMBL15897842 0.90 PKM (0.55) CNR1CNR2PKMELANE
SCHEMBL15898196 0.87 ELANE (0.57) CNR1CNR2ELANEF2PLAU
SCHEMBL17324732 0.86 REN (0.44) CNR1CNR2HTR3AELANEKDM4E
SCHEMBL15897843 0.85 PKM (0.52) CNR1CNR2PKMHTR3AELANE
SCHEMBL17324818 0.83 KDM4C (0.50) CNR1CNR2HTR3AELANEKDM4E
SCHEMBL17324745 0.82 KDM4E (0.52) CNR1CNR2PKMHTR3AELANE
SCHEMBL15897943 0.82 ELANE (0.57) CNR1CNR2ELANEF2PLAU
SCHEMBL17324730 0.81 CNR1 (0.48) CNR1CNR2HTR3AKDM4EPARP1
SCHEMBL19997262 0.81 CNR1 (0.47) CNR1CNR2HTR3AKDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 3572/4885PKM 970/4885

“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.

Send feedback