SCHEMBL6070944

SCHEMBL6070944

O=C(O)c1n[nH]c2c1Cc1c-2[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.49
AURKB Q96GD4 2/20 0.49
MAPK10 P53779 3/20 0.48
RIPK1 Q13546 3/20 0.48
DYRK1A Q13627 1/20 0.46
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA4 P22748 8/20 0.46
CA6 P23280 8/20 0.46
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
HCAR2 Q8TDS4 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CCNA1 P78396 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6071395 0.89 AURKA (0.50) AURKAAURKBMAPK10RIPK1DYRK1A
Hydrochloric Acid SCHEMBL6070901 0.87 AURKA (0.49) AURKAAURKBMAPK10RIPK1DYRK1A
SCHEMBL6070660 0.82 KDM4E (0.62) AURKAAURKBMAPK10RIPK1KDM4E
SCHEMBL5582984 0.71 MAPK10 (0.61) AURKAAURKBMAPK10RIPK1DYRK1A
SCHEMBL42245 0.71 FLT3 (0.65) CTNNB1WNT3AKDM4EALDH1A1CCNA2
SCHEMBL29444537 0.71 FLT3 (0.65) CTNNB1WNT3AKDM4EALDH1A1CCNA2
SCHEMBL6071119 0.70 AURKA (0.68) AURKAAURKBMAPK10RIPK1KDM4E
Hydrochloric Acid SCHEMBL4258298 0.70 FLT3 (0.63) CTNNB1WNT3AKDM4EALDH1A1CCNA2
SCHEMBL27541852 0.70 FLT3 (0.63) CTNNB1WNT3AKDM4EALDH1A1CCNA2
Hydrazine SCHEMBL27690059 0.68 FLT3 (0.61) CTNNB1WNT3AKDM4EALDH1A1CCNA2

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 AURKA 249/4885AURKB 369/4885MAPK10 387/4885

“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.