SCHEMBL969767

SCHEMBL969767

[c]1nnc(-c2nccs2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
ADORA2A P29274 9/20 0.39
ADORA1 P30542 8/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
CYP2A6 P11509 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 2/20 0.33
ADRB2 P07550 1/20 0.33
ADORA3 P0DMS8 4/20 0.33
ADORA2B P29275 4/20 0.33
SMPD3 Q9NY59 1/20 0.33
FBP1 P09467 1/20 0.32
PDK1 Q15118 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL102331 0.76 PDPK1 (0.59) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL28154527 0.74 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL30534095 0.74 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL31556353 0.74 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL30632310 0.74 PDPK1 (0.56) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL15398809 0.70 CYP19A1 (0.32) RAB9ANPC1
SCHEMBL2407299 0.68 PDPK1 (0.42) PDPK1ADORA2AADORA1LOXL2CYP2A6
SCHEMBL8629253 0.67 ALDH1A1 (0.38) ALDH1A1HSD17B10RAB9ANPC1
SCHEMBL10533613 0.67
SCHEMBL9382378 0.65 PDPK1 (0.39) PDPK1ADORA2AADORA1LOXL2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US claimed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US claimed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP claimed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 PDPK1 4730/4885ADORA2A 4392/4885ADORA1 2960/4885

“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.