SCHEMBL19805185

SCHEMBL19805185

COc1nc(N2CCNCC2)c2sc3nc(-c4ccccc4)ccc3c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 6/20 0.48
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ NPY5R Q15761 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL2614862 0.84 PRKCI (0.54) PRKCITP53CYP1A2CYP3A4CYP2D6
SCHEMBL19805097 0.83 PRKCI (0.48) PRKCITP53CYP1A2CYP3A4CYP2D6
SCHEMBL19805096 0.83 PRKCI (0.48) PRKCICYP1A2CYP2D6HTR2CPIK3CA
SCHEMBL19805137 0.81 HTR2C (0.62) PRKCITSHRHTR2CPIK3CALIMK1
SCHEMBL19805169 0.81 PRKCI (0.46) PRKCICYP1A2CYP3A4CYP2D6HTR2C
SCHEMBL5730181 0.78 PRKCI (0.54) PRKCITP53CYP1A2CYP3A4CYP2D6
SCHEMBL19805168 0.77 PRKCI (0.44) PRKCIHTR2CPIK3CALIMK1PIM1
SCHEMBL5732255 0.75 PRKCI (0.44) PRKCICYP1A2CYP3A4TSHRHTR2C
SCHEMBL2614863 0.74 PRKCI (0.52) PRKCITSHRHTR2CMAPTMAPK1
SCHEMBL1321542 0.74 PRKCI (0.52) PRKCITSHRHTR2CNPY5RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-05-24 — — US disclosed
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-10-31 — — US disclosed
WO-2018142365-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-08-09 — — WO disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 — — 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 (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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof GUSB, ENGASE, MGAM PRKCI 3195/4885TP53 1735/4885CYP1A2 331/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PRKCI 3195/4885TP53 1735/4885CYP1A2 331/4885

“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.

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