SCHEMBL6071189

SCHEMBL6071189

CCn1nc(C(=O)O)c2c1-c1[nH]c3ccccc3c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK10 P53779 3/20 0.40
RIPK1 Q13546 3/20 0.40
AURKA O14965 3/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
PDE5A O76074 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL6071464 0.77 AURKA (0.49) HSD17B10KMT2AMEN1MAPK10RIPK1
Alcohol SCHEMBL28970833 0.68 HSD17B10 (0.82) HSD17B10KMT2AMEN1MAPK10RIPK1
SCHEMBL6071275 0.68 AURKA (0.47) HSD17B10KMT2AMEN1MAPK10RIPK1
Acetamide SCHEMBL27705466 0.67 HSD17B10 (0.79) HSD17B10KMT2AMEN1MAPK10RIPK1
SCHEMBL6071193 0.67 KDM4E (0.50) HSD17B10KMT2AMEN1MAPK10RIPK1
SCHEMBL6071395 0.66 AURKA (0.50) HSD17B10KMT2AMEN1MAPK10RIPK1
SCHEMBL29805597 0.66 TSHR (0.56) HSD17B10KMT2AMEN1KDM4EALDH1A1
SCHEMBL2081436 0.66 TSHR (0.56) HSD17B10KMT2AMEN1KDM4EALDH1A1
SCHEMBL2476853 0.66 LMNA (0.43) KMT2AKDM4EALDH1A1NPC1TSHR
SCHEMBL2550010 0.66 CDK2 (0.43) AURKA

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 claimed

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 HSD17B10 4387/4885KMT2A 2104/4885MEN1 2523/4885

“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.