SCHEMBL22967237

SCHEMBL22967237

COCCNC(=O)COc1ccc(-c2nnc(Nc3ccc(N)c(C=N)c3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 3/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ADORA2B P29275 3/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL24094286 0.84 IKBKE (0.36) CYP1A2CYP2C9CYP2C19HPGDMAPT
SCHEMBL22967056 0.82 ADORA2A (0.39) ROCK2ADORA2BADORA2ASMN1; SMN2ALDH1A1
SCHEMBL22967060 0.82 ADORA2A (0.41) ADORA2BADORA2ASMN1; SMN2ALDH1A1
SCHEMBL24610309 0.82 IKBKE (0.39) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL24610274 0.82 HTR1D (0.32) CYP1A2ROCK2HSD17B10
SCHEMBL24094162 0.81 CTDSP1 (0.39) HPGDMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL22967264 0.81 LMNA (0.33) HPGDMAPTROCK2ADORA2BADORA2A
SCHEMBL24610300 0.81 JAK2 (0.34) SMN1; SMN2
SCHEMBL24094128 0.81 PLG (0.34) CYP1A2HSD17B10
SCHEMBL22967263 0.80 MAPT (0.32) MAPTADORA2BADORA2ASMN1; SMN2

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-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA CYP1A2 3140/4885CYP2C9 4713/4885CYP2C19 4684/4885

“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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