SCHEMBL5068802

SCHEMBL5068802

Cc1nc2cc(C(C)(C)C)nn2c(C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
CSF1R P07333 1/20 0.55
RET P07949 1/20 0.55
LTK P29376 1/20 0.55
CSNK1A1 P48729 1/20 0.55
CDK8 P49336 1/20 0.55
CLK2 P49760 1/20 0.55
CDK5 Q00535 1/20 0.55
ACVR1 Q04771 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
KDM4E B2RXH2 3/20 0.47
DPP4 P27487 2/20 0.45
DPP9 Q86TI2 2/20 0.45
GRN P28799 5/20 0.43
SORT1 Q99523 5/20 0.43
POLB P06746 3/20 0.40
MAPT P10636 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5071803 0.86 CYP1A2 (0.47) AURKACSF1RRETLTKCSNK1A1
SCHEMBL5071859 0.75 MAPT (0.58) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL5070873 0.73 NPC1 (0.56) AURKACSF1RRETLTKCSNK1A1
SCHEMBL15043750 0.69 AURKA (0.60) AURKACSF1RRETLTKCSNK1A1
SCHEMBL5068313 0.69 KDM4E (0.40) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2807003 0.68 ALDH1A1 (0.40) KDM4EDPP4DPP9GRNSORT1
SCHEMBL2054043 0.67 AURKA (0.47) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2051557 0.66 AURKA (0.46) AURKACSF1RRETLTKCSNK1A1
SCHEMBL9960635 0.65 POLB (0.44) KDM4EPOLBMAPTCYP1A2LMNA
SCHEMBL21200085 0.65 AURKA (0.58) AURKACSF1RRETLTKCSNK1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 AURKA 4297/4885CSF1R 2715/4885RET 852/4885

“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.