SCHEMBL5013540

SCHEMBL5013540

CCOC(=O)c1cn2c(C3=CCCCC3)c(-c3ccccc3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.44
GABRB2 P47870 6/20 0.44
GAA P10253 2/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.38
GRM6 O15303 2/20 0.38
CDC7 O00311 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5015637 0.86 PTGER1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5013542 0.84 GABRA2 (0.54) GABRA2GABRB2GAANPC1RAB9A
SCHEMBL5013541 0.81 NPC1 (0.44) AKT1AKT2NPC1RAB9ACYP1A2
SCHEMBL17620684 0.69 KDM4E (0.54) GABRA2GABRB2GAACYP1A2SMN1; SMN2
SCHEMBL954248 0.69 CDC7 (0.48) AKT1AKT2NPC1RAB9ACYP1A2
SCHEMBL5013551 0.69 PTGER1 (0.39) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL3601508 0.69 KDM4E (0.53) GABRA2GABRB2GAANPC1RAB9A
SCHEMBL17620682 0.69 ALDH1A1 (0.45) GAANPC1RAB9ACYP1A2CYP2C9
SCHEMBL30250448 0.68 GABRA2 (0.55) GABRA2GABRB2GAANPC1RAB9A
SCHEMBL17620686 0.68 ALDH1A1 (0.52) GAANPC1RAB9ACYP1A2SMN1; 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
EP-1773331-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-18 EP claimed
WO-2006008556-A1 IMIDAZOLE AND THIAZOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-01-26 WO claimed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 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-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 GABRA2 2207/4885GABRB2 1418/4885GAA 997/4885

“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.