Sugi Predict

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SCHEMBL3500935

SCHEMBL3500935

C[C@@H](Nc1nc2ccc(Br)cc2c2c(=O)[nH]ccc12)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.45
▸ SOS1 Q07889 3/20 0.42
▸ EGFR P00533 2/20 0.42
▸ KRAS P01116 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCNE2 O96020 3/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ RPS6KB1 P23443 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
SCHEMBL3502291 1.00 JAK2 (0.45) JAK2SOS1EGFRKRASMEN1
SCHEMBL3501405 0.87 JAK2 (0.60) JAK2CCNE2CCNE1CDK2KCNH2
SCHEMBL11981837 0.87 JAK2 (0.45) JAK2SOS1EGFRKRASMEN1
SCHEMBL3503289 0.85 JAK2 (0.44) JAK2KCNH2
SCHEMBL3502725 0.85 JAK2 (0.44) JAK2KCNH2
SCHEMBL3502356 0.85 JAK2 (0.44) JAK2KCNH2
SCHEMBL3500915 0.79 JAK2 (0.53) JAK2KCNH2
SCHEMBL2871516 0.78 HTT (0.53) JAK2MAPTHTTKMT2A
SCHEMBL20509227 0.76 SOS1 (0.67) SOS1EGFRKRASMEN1MAPT
SCHEMBL20509228 0.76 SOS1 (0.67) SOS1EGFRKRASMEN1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US claimed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 — — EP claimed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US claimed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 — — EP disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 — — EP disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 — — 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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 JAK2 1/4885SOS1 1947/4885EGFR 1070/4885

“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.