SCHEMBL1958466

SCHEMBL1958466

CCOC(=O)c1cc2n(c1)CCC(C#N)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ FDFT1 P37268 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 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
SCHEMBL1961025 0.93 ALDH1A1 (0.38) ALDH1A1MAPK1FDFT1HTTTDP1
SCHEMBL27147171 0.75 ALDH1A1 (0.40) ALDH1A1MAPK1GAAHTTTDP1
SCHEMBL2524424 0.71 PLK4 (0.43) ALDH1A1MAPK1GAAKDM4ECA12
SCHEMBL2521094 0.69 RPS6KA3 (0.43) ALDH1A1MAPK1HTTTDP1HPGD
SCHEMBL30782331 0.68 MCHR1 (0.39) ALDH1A1MAPK1FDFT1CA12CA1
SCHEMBL8486452 0.67 KCNK3 (0.57) ALDH1A1TDP1HPGDNPSR1KDM4E
SCHEMBL2518050 0.65 MEN1 (0.49) ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18932193 0.65 CHRNA7 (0.39) ALDH1A1MAPK1HPGDNPSR1KDM4E
SCHEMBL14811913 0.64 KCNK3 (0.48) ALDH1A1GAATDP1HPGDNPSR1
SCHEMBL18932675 0.64 KCNK3 (0.48) ALDH1A1GAATDP1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701686-B2 Tricyclopyrazole derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-11 — — US disclosed
US-20150329552-A1 TRICYCLOPYRAZOLE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-19 — — US disclosed
US-9127015-B2 Tricyclopyrazole derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-09-08 — — US disclosed
EP-2507244-B1 TRICYCLOPYRAZOLE DERIVATIVES NERVIANO MEDICAL SCIENCES SRL (IT) 2014-11-05 — — EP disclosed
US-20120277214-A1 TRICYCLOPYRAZOLE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 — — US disclosed
EP-2507244-A1 TRICYCLOPYRAZOLE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2012-10-10 — — EP disclosed
WO-2011067145-A1 TRICYCLOPYRAZOLE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-09 — — WO 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-20150329552-A1 TRICYCLOPYRAZOLE DERIVATIVES CDK3, MAP3K15, CDK6 ALDH1A1 3563/4885MAPK1 136/4885GAA 1846/4885
US-20120277214-A1 TRICYCLOPYRAZOLE DERIVATIVES CDK3, MAP3K15, CDK6 ALDH1A1 3563/4885MAPK1 136/4885GAA 1846/4885

“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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