SCHEMBL3606403

SCHEMBL3606403

O=C(O)c1cc(-c2nnn[nH]2)c(-c2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL3607851 0.88 MAPK14 (0.61) MAPK14PLK4AURKADAPK3CHEK2
SCHEMBL3604294 0.85 OPRD1 (0.56) MAPK14RAB9AKMT2AHPGDKDM4E
SCHEMBL3592626 0.85 CSNK1D (0.47) MAPK14PLK4AURKADAPK3CHEK2
SCHEMBL3596652 0.84 NOTUM (0.42) MAPK14PLK4AURKADAPK3CHEK2
SCHEMBL3611041 0.83 KDM4E (0.46) MAPK14RAB9AKMT2ANOTUMHPGD
SCHEMBL3598647 0.82 PIN1 (0.44) RAB9AHPGDKDM4EALDH1A1LMNA
SCHEMBL3603427 0.82 MCL1 (0.41) MAPK14MEN1KMT2APLK4AURKA
SCHEMBL3602742 0.81 KDM4E (0.41) MEN1RAB9AKMT2ANOTUMHPGD
SCHEMBL12496517 0.80 MAPK14 (0.61) MAPK14MEN1POLBRAB9AKMT2A
SCHEMBL3326373 0.79 CCNC (0.35) MEN1POLBKMT2AHPGDKDM4E

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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 (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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPK14 3384/4885MEN1 4677/4885POLB 1277/4885

“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.