SCHEMBL20830336

SCHEMBL20830336

Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.60
▸ ALKBH3 Q96Q83 10/20 0.60
▸ POLB P06746 5/20 0.58
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ CASP1 P29466 2/20 0.58
▸ KDM4A O75164 1/20 0.58
▸ KDM4B O94953 1/20 0.58
▸ KDM4D Q6B0I6 1/20 0.58
▸ KDM4C Q9H3R0 1/20 0.58
▸ RAB9A P51151 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MAPT P10636 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ GAA P10253 4/20 0.53
▸ KMT2A Q03164 4/20 0.53

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
SCHEMBL20819222 0.91 KDM4E (0.59) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20830286 0.89 KDM4E (0.55) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20830326 0.88 KDM4E (0.54) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20830340 0.88 KDM4E (0.56) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20819217 0.87 ALKBH3 (0.60) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20830174 0.87 KDM4E (0.55) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20830148 0.85 KDM4E (0.54) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20819227 0.85 KDM4E (0.57) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20819216 0.85 KDM4E (0.53) KDM4EALKBH3POLBL3MBTL1TDP1
SCHEMBL20819201 0.85 KDM4E (0.55) KDM4EALKBH3POLBL3MBTL1TDP1

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 KDM4E 3372/4885ALKBH3 4737/4885POLB 3205/4885

“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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