SCHEMBL20819205

SCHEMBL20819205

Cc1cc(C)nc(SCc2cc(=O)n(-c3nc4ccc(Br)cc4s3)[nH]2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 6/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ RECQL P46063 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ ALOX15 P16050 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ HTT P42858 3/20 0.40
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL20819194 0.87 KDM4E (0.64) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL22487735 0.73 KDM4E (0.63) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL20819221 0.71 KDM4E (0.62) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL20830294 0.69 NOX4 (0.47) KDM4EMAPTMEN1POLBKMT2A
SCHEMBL20819217 0.69 ALKBH3 (0.60) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL20830297 0.68 KDM4E (0.64) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL20819229 0.65 EGFR (0.40) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL1530370 0.64 MAPT (0.64) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL15269986 0.62 MAPT (0.67) KDM4EMAPTHSD17B10MEN1POLB
SCHEMBL15269357 0.60 KDM4E (0.78) KDM4EMAPTHSD17B10MEN1POLB

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 5 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
EP-3681499-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. Shaw Research, LLC (US) 2020-07-22 — — EP disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — WO 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 3372/4885MAPT 3664/4885HSD17B10 3663/4885

“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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