SCHEMBL19323054

SCHEMBL19323054

COc1ncc(CSc2ccncc2CNC(=O)C(C)(C)C)cc1CNC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ DGAT2 Q96PD7 4/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ GRK5 P34947 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SLC22A12 Q96S37 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL19318501 0.75 CA1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL19318499 0.72 POLB (0.48) POLBCA12CA1CA2CA9
SCHEMBL19318500 0.72 SLC13A5 (0.48) LMNA
SCHEMBL25587537 0.68 SOST (0.51) CA1CA2CA14TDP1ALDH1A1
SCHEMBL25591488 0.66 MAPT (0.47) CA1CA2CA14TDP1ALDH1A1
SCHEMBL7756436 0.64 RECQL (0.64) RECQLL3MBTL1USP2ALDH1A1NPSR1
SCHEMBL19318506 0.64 ADORA2A (0.51) CA1CA2CA14KIT
SCHEMBL18997723 0.63 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2
SCHEMBL1709279 0.63 RAB9A (0.63) CA1CA2CA14L3MBTL1ALDH1A1
SCHEMBL14667212 0.62 KMT2A (0.65) ALDH1A1NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC POLB 2951/4885CA12 4380/4885CA1 4836/4885

“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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