SCHEMBL18329643

SCHEMBL18329643

CCOC(=O)C(C)(C)n1ncc2cc(Cc3ccc(OC)cc3)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAOB P27338 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PDE1B Q01064 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GLA P06280 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE2A O00408 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL15339562 0.78 ALDH1A1 (0.38) MAOBKDM4EALDH1A1HPGDNPSR1
SCHEMBL15342931 0.75 PKM (0.50) GAAMAPTSMN1; SMN2CTSSCTSK
SCHEMBL23426122 0.74 SAE1 (0.41) MAPTSMN1; SMN2PDE1BMAPK1PDE2A
SCHEMBL18329684 0.73 NPC1 (0.44) GAAMAPTSMN1; SMN2KDM4EPDE2A
SCHEMBL23426162 0.70 LTA4H (0.40) CTSSCTSKPDE1BKDM4EALDH1A1
SCHEMBL15328543 0.69 DGAT1 (0.41) UCHL1
SCHEMBL19355326 0.68 NPBWR1 (0.42) CTSSCTSKPDE1BPDE4BGABRG2
SCHEMBL14027882 0.68 MAOB (0.58) GAAMAOBMAPTSMN1; SMN2PDE1B
SCHEMBL29600977 0.68 MAOB (0.58) GAAMAOBMAPTSMN1; SMN2PDE1B
SCHEMBL18056104 0.68 PDE1B (0.51) PDE1B

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
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 US disclosed
US-20180208579-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2018-07-26 US disclosed
US-9878993-B2 DNA-PK inhibitors for treatment of cancer VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-30 US disclosed
US-20160368899-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-22 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 (3 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-20160368899-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK GAA 234/4885MAOB 2973/4885OPRK1 1307/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK GAA 234/4885MAOB 2973/4885OPRK1 1307/4885
US-20180208579-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK GAA 234/4885MAOB 2973/4885OPRK1 1307/4885

“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.