SCHEMBL19805099

SCHEMBL19805099

CNc1nc(N2CCNCC2)c2sc3nc(N(C)C)ccc3c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 8/20 0.44
▸ USP28 Q96RU2 1/20 0.42
▸ USP25 Q9UHP3 1/20 0.42
▸ HTR2C P28335 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ GUSB P08236 1/20 0.32

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
SCHEMBL19805085 0.86 PRKCI (0.46) PRKCIUSP28HTR2CTSHRKMT2A
SCHEMBL19805096 0.82 PRKCI (0.48) PRKCIHTR2CCYP1A2CYP2D6ADORA2A
SCHEMBL19805165 0.81 GUSB (0.44) PRKCIUSP28USP25HTR2CTSHR
SCHEMBL19805144 0.81 PRKCI (0.67) PRKCIHTR2C
SCHEMBL19805163 0.81 TSHR (0.44) PRKCITSHRKMT2ANPSR1KDM4E
SCHEMBL19805097 0.72 PRKCI (0.48) PRKCIHTR2CTSHRKDM4ETP53
SCHEMBL19805168 0.68 PRKCI (0.44) PRKCIHTR2CKDM4EALDH1A1ADORA2A
SCHEMBL19805185 0.65 PRKCI (0.48) PRKCIHTR2CTSHRKMT2AALDH1A1
SCHEMBL19805182 0.64 HTR2C (0.44) PRKCIHTR2CTSHRKMT2ANPSR1
SCHEMBL19805137 0.62 HTR2C (0.62) PRKCIHTR2CTSHRKMT2ANPSR1

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 3195/4885USP28 627/4885USP25 749/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PRKCI 3195/4885USP28 627/4885USP25 749/4885

“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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