SCHEMBL16396188

SCHEMBL16396188

C=C(c1ccccc1)c1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.59
▸ F2 P00734 1/20 0.50
▸ PLG P00747 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ KDR P35968 1/20 0.49
▸ MAOA P21397 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43

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
SCHEMBL19070659 0.93 F2 (0.56) PBRM1F2PLGPRSS1PRSS2
SCHEMBL7133352 0.89 F2 (0.48) PBRM1F2PLGPRSS1PRSS2
Aniline SCHEMBL28205031 0.86 TSHR (0.58) PBRM1F2MAOAMEN1KMT2A
SCHEMBL28205030 0.84 PBRM1 (0.47) PBRM1F2PLGPRSS1PRSS2
SCHEMBL814654 0.84 MEN1 (0.52) PBRM1KDRMAOAMEN1KMT2A
SCHEMBL12326742 0.82 PBRM1 (0.57) PBRM1F2PLGPRSS1PRSS2
SCHEMBL21811989 0.81 MEN1 (0.50) PBRM1KDRMAOAMEN1KMT2A
SCHEMBL9823021 0.79 MEN1 (0.54) F2PRSS1PRSS3MAOAMEN1
Benzene SCHEMBL28340939 0.78 MEN1 (0.61) F2MAOAMEN1KMT2ACYP3A4
Benzene SCHEMBL9731493 0.78 MEN1 (0.61) F2MAOAMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 — — US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 — — US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 — — US disclosed
US-11203574-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-21 — — US disclosed
US-11192861-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-07 — — US disclosed
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 — — US disclosed
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 — — US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 — — US disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 — — US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 — — EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 — — US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 — — EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 — — 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 (10 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-11203574-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 PBRM1 4339/4885F2 24/4885PLG 32/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 PBRM1 4339/4885F2 24/4885PLG 32/4885
US-11192861-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 PBRM1 4339/4885F2 24/4885PLG 32/4885
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A PBRM1 916/4885F2 2629/4885PLG 3479/4885
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PBRM1 4339/4885F2 24/4885PLG 32/4885
US-20210047276-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PBRM1 4339/4885F2 24/4885PLG 32/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 PBRM1 4230/4885F2 29/4885PLG 32/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 PBRM1 4429/4885F2 28/4885PLG 26/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A PBRM1 916/4885F2 2629/4885PLG 3479/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 PBRM1 4230/4885F2 29/4885PLG 32/4885

“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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