SCHEMBL6798586

SCHEMBL6798586

CCOC(=O)c1c2c(nn1CCCC#N)C1=C(CC2)NN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 8/20 0.33
CREBBP Q92793 1/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 2/20 0.31
F2RL3 Q96RI0 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK6 Q00534 1/20 0.31

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
SCHEMBL6793102 0.88 ALDH1A1 (0.35) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL6793133 0.85 KMT2A (0.40) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL6791964 0.84 KDM4E (0.35) MAPTKDM4E
SCHEMBL6794842 0.83 OPRD1 (0.35) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL6798838 0.82 ADORA1 (0.35) MAPTKDM4ESMN1; SMN2
SCHEMBL6795358 0.81 ADORA3 (0.33) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL6788861 0.81 CCNA2 (0.37) MAPTKMT2AALOX15ALDH1A1KDM4E
SCHEMBL6789045 0.79 MAPT (0.34) MAPTKMT2AALOX15ALDH1A1KDM4E
SCHEMBL6798581 0.78 OPRM1 (0.33) MAPTKMT2AALOX15ALDH1A1KDM4E
SCHEMBL6792562 0.76 AURKA (0.51) MAPTKMT2AALDH1A1KDM4ECREBBP

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-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 MAPT 3143/4885KMT2A 1257/4885ALOX15 3537/4885

“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.