SCHEMBL998973

SCHEMBL998973

Brc1cnc(-c2cncnc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.37
CYP2A6 P11509 2/20 0.34
AR P10275 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
XDH P47989 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTK2 Q05397 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16886042 0.76 ATM (0.42) ATMCYP2A6ARHCAR2XDH
SCHEMBL26172871 0.76 NPC1 (0.41) DYRK1ADYRK1BNPC1NFKB1RAB9A
SCHEMBL12951068 0.75 ATM (0.37) ATMCYP2A6ARHCAR2
SCHEMBL20839255 0.75 KDM4E (0.43) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL167789 0.74
SCHEMBL5824109 0.74 CYP2A6 (0.58) DYRK1ANPC1NFKB1RAB9ANFKB2
SCHEMBL20640239 0.73 NPC1 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL31378587 0.73 SMN1; SMN2 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL16222829 0.72 NPC1 (0.65) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL7892975 0.72

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
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

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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A DYRK1A 4128/4885DYRK1B 4362/4885NPC1 754/4885

“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.