SCHEMBL6284409

SCHEMBL6284409

Nc1nnc(CN2CCOCC2)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PTPN1 P18031 1/20 0.43
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CXCR4 P61073 1/20 0.40
GLS O94925 2/20 0.39
HTT P42858 1/20 0.39
F2 P00734 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
FBP1 P09467 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 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
SCHEMBL2400051 0.83 L3MBTL1 (0.71) SMN1; SMN2L3MBTL1POLBALDH1A1GLS
SCHEMBL3102187 0.72 SMN1; SMN2 (0.46) SMN1; SMN2PTPN1ALDH1A1CXCR4HTT
SCHEMBL1032607 0.70 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1CXCR4HTTHRH3
SCHEMBL31222255 0.70 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1POLBALDH1A1GLS
SCHEMBL30106091 0.69 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1POLBALDH1A1GLS
SCHEMBL3901409 0.69 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1PTPN1POLBALDH1A1
SCHEMBL6375003 0.69 GRIN2B (0.55) SMN1; SMN2POLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL458310 0.69 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CXCR4HTTADORA2A
SCHEMBL5456183 0.68 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1ALOX15HSD17B10MEN1
SCHEMBL18641434 0.68 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CXCR4HTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 SMN1; SMN2 4321/4885L3MBTL1 4225/4885PTPN1 4374/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 SMN1; SMN2 4321/4885L3MBTL1 4225/4885PTPN1 4374/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 SMN1; SMN2 4321/4885L3MBTL1 4225/4885PTPN1 4374/4885

“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.