SCHEMBL20830314

SCHEMBL20830314

Cc1cccc(-n2[nH]c(CSc3ccccc3)cc2=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CXCR2 P25025 3/20 0.46
▸ RECQL P46063 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.42
▸ KDM4C Q9H3R0 4/20 0.41
▸ KDM5B Q9UGL1 4/20 0.41
▸ KDM5A P29375 3/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL20830152 0.87 KDM4C (0.48) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20819200 0.80 KMT2A (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20830170 0.80 KDM4C (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20830327 0.76 KDM4C (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20830149 0.75 KDM4C (0.51) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20830150 0.74 KDM4E (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20830294 0.74 NOX4 (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL19918060 0.73 KMT2A (0.75) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL20819222 0.72 KDM4E (0.59) KMT2AMAPTMEN1KDM4EGAA
SCHEMBL20830154 0.72 KMT2A (0.41) KMT2AMAPTMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS KMT2A 3292/4885MAPT 3664/4885MEN1 189/4885

“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.

Send feedback