SCHEMBL19805085

SCHEMBL19805085

CNc1ccc2c(n1)sc1c(N3CCNCC3)nc(NC)nc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 7/20 0.46
▸ USP28 Q96RU2 2/20 0.42
▸ HTR2C P28335 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ GUSB P08236 1/20 0.34

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
SCHEMBL19805099 0.86 PRKCI (0.44) PRKCIUSP28HTR2CTSHRKMT2A
SCHEMBL19805096 0.85 PRKCI (0.48) PRKCIHTR2CADORA2AHRH4
SCHEMBL19805144 0.83 PRKCI (0.67) PRKCIHTR2C
SCHEMBL19805163 0.83 TSHR (0.44) PRKCITSHRKMT2ANPSR1KDM4E
SCHEMBL19805168 0.70 PRKCI (0.44) PRKCIHTR2CADORA2AKDM4EALDH1A1
SCHEMBL19805097 0.68 PRKCI (0.48) PRKCIHTR2CTSHRADORA2AKDM4E
SCHEMBL19805185 0.68 PRKCI (0.48) PRKCIHTR2CTSHRKMT2AALDH1A1
SCHEMBL19805182 0.66 HTR2C (0.44) PRKCIHTR2CTSHRKMT2ANPSR1
SCHEMBL19805165 0.66 GUSB (0.44) PRKCIUSP28HTR2CTSHRKMT2A
SCHEMBL24592768 0.65 USP28 (0.68) USP28

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 627/4885HTR2C 4260/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PRKCI 3195/4885USP28 627/4885HTR2C 4260/4885

“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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