SCHEMBL6791972

SCHEMBL6791972

CCOC(=O)c1nn(-c2ccccc2)c2c1CCc1cc(O)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ HPGD P15428 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ CCNA2 P20248 3/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ CCNA1 P78396 3/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ ALOX12 P18054 1/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL6793005 0.89 CCNA2 (0.65) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL8593062 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL11863172 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL5371941 0.86 CA9 (0.50) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL6793613 0.85 CCNA2 (0.52) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL18082705 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL14532845 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL14532706 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL6791596 0.82 CCNA2 (0.58) CCNA2CDK2CCNA1KMT2A
SCHEMBL11864991 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDTP53CCNA2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 — — US claimed
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 — — 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ALDH1A1 4449/4885KDM4E 2167/4885HPGD 814/4885

“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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