SCHEMBL20830302

SCHEMBL20830302

O=c1cc(CSc2nc(-c3ccccc3)cs2)[nH]n1-c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.55
▸ ALKBH3 Q96Q83 7/20 0.55
▸ TDP1 Q9NUW8 4/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ TP53 P04637 4/20 0.55
▸ ALOX15 P16050 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ ALPL P05186 1/20 0.55
▸ ALPI P09923 1/20 0.55
▸ ALPG P10696 1/20 0.55
▸ CASP1 P29466 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4A O75164 1/20 0.51
▸ KDM4B O94953 1/20 0.51
▸ KDM4D Q6B0I6 1/20 0.51

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
SCHEMBL20819988 0.86 ALKBH3 (0.57) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20830173 0.85 KDM4E (0.50) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20819213 0.84 KDM4E (0.53) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20830306 0.84 KDM4E (0.41) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20819222 0.82 KDM4E (0.59) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL22487780 0.79 ALKBH3 (0.56) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20830289 0.79 ABL1 (0.58) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20830329 0.78 KDM4E (0.57) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20819246 0.78 KDM4E (0.50) KDM4EALKBH3TDP1L3MBTL1TP53
SCHEMBL20830340 0.77 KDM4E (0.56) KDM4EALKBH3TDP1L3MBTL1TP53

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 4737/4885TDP1 4172/4885

“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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