SCHEMBL969074

SCHEMBL969074

N#Cc1cncc(-c2ccc(Br)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.61
CYP11B1 P15538 10/20 0.61
MAP4K4 O95819 1/20 0.49
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
XDH P47989 1/20 0.41
PIK3CG P48736 1/20 0.41
NR3C2 P08235 1/20 0.41
GRIA2 P42262 1/20 0.40

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
SCHEMBL17116617 0.86 CYP11B2 (0.62) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL2983844 0.84 CYP11B2 (0.61) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL17116594 0.81 CYP11B2 (0.57) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL21044264 0.81 CYP11B2 (0.57) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL6085958 0.81 CYP11B2 (0.66) CYP11B2CYP11B1MAP4K4
SCHEMBL12947990 0.81 CYP11B2 (0.57) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL30725703 0.81 CYP11B2 (0.57) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL17116450 0.81 CYP11B2 (0.61) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL1651440 0.81 CYP11B2 (0.56) CYP11B2CYP11B1MAP4K4PRMT5WDR77
SCHEMBL2979806 0.81 CYP11B2 (0.56) CYP11B2CYP11B1MAP4K4

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
CN-108976212-A Fluorene derivative and its application in luminous organic material 北京鼎材科技有限公司 2018-12-11 CN disclosed
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-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP 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 (2 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 CYP11B2 1407/4885CYP11B1 886/4885MAP4K4 2183/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP11B2 3827/4885CYP11B1 3818/4885MAP4K4 3605/4885

“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.