SCHEMBL1902104

SCHEMBL1902104

CCn1c(SC)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.35
LCK P06239 1/20 0.35
AURKA O14965 1/20 0.35
PDE2A O00408 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
CHEK1 O14757 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1901644 0.91 PDE2A (0.35) TNK2LCKAURKAPDE2AHSD17B10
SCHEMBL14119271 0.90 AKT1 (0.41) TNK2LCKAURKAPDE2ATSHR
SCHEMBL14118606 0.90 PDE2A (0.38) TNK2AURKAPDE2ACHEK1
SCHEMBL1903809 0.90 ALDH1A1 (0.38) TNK2LCKPDE2ATP53TSHR
SCHEMBL1905588 0.90 KDM4E (0.34) TNK2LCKAURKAPDE2ASMN1; SMN2
SCHEMBL1902285 0.90 ALDH1A1 (0.41) SMN1; SMN2MAPTTP53TSHRHPGD
SCHEMBL1902450 0.89 ALDH1A1 (0.35) TNK2AURKAPDE2AHSD17B10HPGD
SCHEMBL1906102 0.88 TNK2 (0.36) TNK2LCKAURKAPDE2ASMN1; SMN2
SCHEMBL1901455 0.87 TNK2 (0.37) TNK2LCKAURKAPDE2ACHEK1
SCHEMBL12095453 0.86 TNK2 (0.34) TNK2LCKAURKAPDE2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 TNK2 33/4885LCK 428/4885AURKA 527/4885

“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.