SCHEMBL21375878

SCHEMBL21375878

COC(=O)c1cnn(Cc2ccc3nccnc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.54
▸ KLKB1 P03952 5/20 0.51
▸ TAS2R8 Q9NYW2 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ OGA O60502 2/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ CD74 P04233 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL21355620 0.88 GRM2 (0.55) GRM2KLKB1TAS2R8MEN1KMT2A
SCHEMBL21355988 0.85 KLKB1 (0.52) GRM2KLKB1TAS2R8MEN1KMT2A
SCHEMBL21354786 0.81 KLKB1 (0.58) GRM2KLKB1MEN1KMT2ATP53
SCHEMBL29117303 0.78 GRM2 (0.61) GRM2KLKB1TP53HTTLMNA
SCHEMBL17895755 0.78 L3MBTL1 (0.60) GRM2KLKB1MEN1KMT2ATP53
SCHEMBL3765456 0.78 KLKB1 (0.53) KLKB1POLB
SCHEMBL18794996 0.78 GRM2 (0.53) GRM2KLKB1MEN1KMT2ATP53
SCHEMBL4785951 0.76 HSD17B10 (0.59) GRM2KLKB1TAS2R8MEN1KMT2A
SCHEMBL30736811 0.75 KDM4E (0.51) GRM2KLKB1MEN1KMT2ATP53
SCHEMBL1909605 0.74 KLKB1 (0.61) GRM2KLKB1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 — — US disclosed
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 — — 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 (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-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 GRM2 4841/4885KLKB1 1/4885TAS2R8 3861/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 GRM2 4841/4885KLKB1 1/4885TAS2R8 3861/4885

“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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