SCHEMBL6071395

SCHEMBL6071395

O=C(O)c1n[nH]c2c1CCc1c-2[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.50
MAPK10 P53779 5/20 0.50
RIPK1 Q13546 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
PTK2B Q14289 1/20 0.50
AURKB Q96GD4 1/20 0.49
DYRK1A Q13627 1/20 0.46
KDR P35968 1/20 0.45
HCAR2 Q8TDS4 3/20 0.44
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44

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
Hydrochloric Acid SCHEMBL6070901 0.99 AURKA (0.49) AURKAMAPK10RIPK1MEN1KMT2A
SCHEMBL6070944 0.89 AURKA (0.49) AURKAMAPK10RIPK1MEN1KMT2A
SCHEMBL5582984 0.76 MAPK10 (0.61) AURKAMAPK10RIPK1MEN1KMT2A
SCHEMBL6071119 0.76 AURKA (0.68) AURKAMAPK10RIPK1MEN1KMT2A
SCHEMBL3206132 0.74 GSR (0.53) KMT2AKDM4EALDH1A1RAB9ATSHR
SCHEMBL6070955 0.72 AURKA (0.54) AURKAMAPK10RIPK1MEN1KMT2A
SCHEMBL6070660 0.71 KDM4E (0.62) AURKAMAPK10RIPK1MEN1KMT2A
SCHEMBL42245 0.71 FLT3 (0.65) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29444537 0.71 FLT3 (0.65) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27594856 0.71 MEN1 (0.59) AURKAMAPK10RIPK1MEN1KMT2A

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 2 patents. 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 claimed
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 249/4885MAPK10 387/4885RIPK1 131/4885

“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.