SCHEMBL19805097

SCHEMBL19805097

CN(C)c1nc(N2CCNCC2)c2sc3nc(-c4ccccc4)ccc3c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 7/20 0.48
▸ HTR2C P28335 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ NPY5R Q15761 1/20 0.39
▸ ADORA2A P29274 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
SCHEMBL19805094 0.83 LIMK1 (0.35) PRKCIKDM4EMAPTSMN1; SMN2PIK3CA
SCHEMBL19805185 0.83 PRKCI (0.48) PRKCIHTR2CTP53CYP1A2CYP3A4
SCHEMBL19805096 0.83 PRKCI (0.48) PRKCIHTR2CCYP1A2CYP2D6PIK3CA
SCHEMBL19805169 0.81 PRKCI (0.46) PRKCIHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL19805137 0.81 HTR2C (0.62) PRKCIHTR2CKDM4ETSHRPIK3CA
SCHEMBL19805168 0.77 PRKCI (0.44) PRKCIHTR2CKDM4EPIK3CALIMK1
SCHEMBL19805099 0.72 PRKCI (0.44) PRKCIHTR2CKDM4ETP53CYP1A2
SCHEMBL19805165 0.70 GUSB (0.44) PRKCIHTR2CKDM4ETP53CYP1A2
SCHEMBL5730721 0.69 PRKCI (0.56) PRKCIHTR2CKDM4EMAPTTOP1
SCHEMBL5731659 0.69 HTR2C (0.62) PRKCIHTR2CMAPTTOP1TOP2A

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 3195/4885HTR2C 4260/4885KDM4E 4075/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PRKCI 3195/4885HTR2C 4260/4885KDM4E 4075/4885

“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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