SCHEMBL20830169

SCHEMBL20830169

Cc1nnc(SCc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2C)s1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ ALKBH3 Q96Q83 8/20 0.56
▸ KDM4E B2RXH2 12/20 0.49
▸ SLC11A2 P49281 1/20 0.47
▸ POLB P06746 1/20 0.45

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
SCHEMBL20830342 0.84 KDM4E (0.52) ABL1RIN1ALKBH3KDM4E
SCHEMBL20830325 0.84 KDM4E (0.43) ABL1RIN1ALKBH3KDM4EPOLB
SCHEMBL20819197 0.83 ALKBH3 (0.62) ALKBH3KDM4ESLC11A2
SCHEMBL20819210 0.82 ALDH1A1 (0.49) ABL1RIN1ALKBH3KDM4E
SCHEMBL20830289 0.82 ABL1 (0.58) ABL1RIN1ALKBH3KDM4ESLC11A2
SCHEMBL12297697 0.77 ABL1 (0.57) ABL1RIN1KDM4EPOLB
SCHEMBL22487780 0.68 ALKBH3 (0.56) ALKBH3KDM4ESLC11A2POLB
SCHEMBL20819988 0.67 ALKBH3 (0.57) ALKBH3KDM4ESLC11A2POLB
SCHEMBL20819221 0.65 KDM4E (0.62) ABL1RIN1KDM4ESLC11A2POLB
SCHEMBL4895300 0.63 KDM4E (1.00) ALKBH3KDM4ESLC11A2POLB

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 ABL1 41/4885RIN1 7/4885ALKBH3 4737/4885

“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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