SCHEMBL4960852

SCHEMBL4960852

CCOC(=O)C(C#N)=CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
DHODH Q02127 2/20 0.53
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 1/20 0.48
AR P10275 4/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
CES2 O00748 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TBXA2R P21731 1/20 0.48
AADAC P22760 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL15223400 0.86 ALDH1A1 (0.56) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL4964597 0.86 DHODH (0.57) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL18933453 0.85 DHODH (0.56) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL30137775 0.83 DHODH (0.54) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL29025833 0.83 DHODH (0.54) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL4960510 0.80 ALDH1A1 (0.54) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL4960507 0.80 ALDH1A1 (0.54) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL11445419 0.79 AR (0.61) ALDH1A1MAPTARCYP3A4LMNA
SCHEMBL1892083 0.79 ALDH1A1 (0.59) ALDH1A1MAPTDHODHKDM4ETDP1
SCHEMBL16522194 0.79 ALDH1A1 (0.59) ALDH1A1MAPTDHODHKDM4ETDP1

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
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 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 (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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885MAPT 4563/4885DHODH 1525/4885

“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.