SCHEMBL22191100

SCHEMBL22191100

COc1ccc(CNc2ncc(-c3ccc4[nH]c(=O)[nH]c4c3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 8/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ G6PD P11413 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CDC25A P30304 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CDC25C P30307 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL22191683 0.87 GAA (0.49) VNN1KDM4EKMT2AGAAMAPT
SCHEMBL22191405 0.84 HDAC3 (0.47) HDAC6KDM4EMEN1KMT2AALDH1A1
SCHEMBL22191481 0.84 VNN1 (0.48) VNN1HDAC6KDM4EMEN1KMT2A
SCHEMBL28644765 0.84 PLK4 (0.55) VNN1HDAC6KDM4EMEN1KMT2A
SCHEMBL22190998 0.84 GAA (0.47) VNN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL22191095 0.84 PLK4 (0.50) VNN1HDAC6KMT2AGAAMAPT
SCHEMBL22191159 0.83 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL22191347 0.83 PDE3B (0.60) VNN1HDAC6KDM4EGAACDC25A
SCHEMBL22191518 0.81 PDE3B (0.45) KDM4EMEN1KMT2AGAAMAPK1
SCHEMBL22191472 0.81 DYRK1A (0.48) VNN1KDM4EALDH1A1GAAHPGD

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 VNN1 4064/4885HDAC6 1097/4885KDM4E 2556/4885

“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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