SCHEMBL20830155

SCHEMBL20830155

O=c1cc(CSc2ccc(Br)cn2)[nH]n1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX4 Q9NPH5 2/20 0.45
▸ NOX1 Q9Y5S8 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4C Q9H3R0 9/20 0.41
▸ KDM5B Q9UGL1 7/20 0.41
▸ KDM5A P29375 4/20 0.41
▸ SLC11A2 P49281 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ IGF1R P08069 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
SCHEMBL20819226 0.78 KDM4E (0.52) KDM4CCLK4GAAKDM4EKDM4A
SCHEMBL20830294 0.75 NOX4 (0.47) NOX4NOX1ALDH1A1KDM4CKDM5B
SCHEMBL20830149 0.74 KDM4C (0.51) NOX4NOX1ALDH1A1KDM4CKDM5B
SCHEMBL20830295 0.72 RAB9A (0.46) NOX4NOX1ALDH1A1KDM4CKDM5B
SCHEMBL20830151 0.71 NOX4 (0.48) NOX4NOX1KDM4CKDM5BKDM5A
SCHEMBL8018020 0.70 KDM4C (0.53) NOX4NOX1KDM4CKDM5BKDM5A
SCHEMBL20830327 0.70 KDM4C (0.46) NOX4NOX1ALDH1A1KDM4CKDM5B
SCHEMBL20830287 0.68 KDM4E (0.55) ALDH1A1KDM4CCLK4GAAKDM4E
SCHEMBL2995142 0.68 L3MBTL1 (0.48) ALDH1A1ABL1GAAL3MBTL1
SCHEMBL29620897 0.68 L3MBTL1 (0.48) ALDH1A1ABL1GAAL3MBTL1

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 NOX4 1655/4885NOX1 729/4885ALDH1A1 2215/4885

“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