Sugi Predict

Sugi Predict / Compounds / SCHEMBL4586988

SCHEMBL4586988

SCHEMBL4586988

Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.82
▸ MEN1 O00255 2/20 0.82
▸ KMT2A Q03164 2/20 0.82
▸ NPC1 O15118 1/20 0.82
▸ PRNP P04156 1/20 0.82
▸ CYP1A2 P05177 1/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ MAPT P10636 1/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ CYP2C19 P33261 1/20 0.82
▸ HTT P42858 1/20 0.82
▸ EGFR P00533 14/20 0.80
▸ ERBB2 P04626 2/20 0.74
▸ PIM1 P11309 1/20 0.71
▸ MKNK2 Q9HBH9 1/20 0.71
▸ ABCG2 Q9UNQ0 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ GLA P06280 1/20 0.71

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
SCHEMBL4783154 0.90 KDM4E (1.00) KDM4EMEN1KMT2ANPC1PRNP
Hydrochloric Acid SCHEMBL29793358 0.89 KDM4E (0.97) KDM4EMEN1KMT2ANPC1PRNP
Hydrochloric Acid SCHEMBL19716096 0.89 KDM4E (0.97) KDM4EMEN1KMT2ANPC1PRNP
SCHEMBL4355658 0.89 EGFR (1.00) KDM4EMEN1KMT2ANPC1PRNP
SCHEMBL11090554 0.86 KDM4E (0.83) KDM4EMEN1KMT2ANPC1PRNP
SCHEMBL31060998 0.85 EGFR (1.00) EGFRERBB2ABCG2FBP1
SCHEMBL1417740 0.85 EGFR (1.00) EGFRERBB2ABCG2FBP1
Hydrochloric Acid SCHEMBL11088537 0.85 KDM4E (0.81) KDM4EMEN1KMT2ANPC1PRNP
SCHEMBL8870666 0.84 EGFR (0.81) KDM4EMEN1KMT2ANPC1PRNP
SCHEMBL3664557 0.84 EGFR (0.81) EGFRERBB2ABCG2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 — — EP disclosed
US-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis T.K. SIGNAL LTD. (IL) 2006-02-02 — — US disclosed
EP-1594504-A2 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T.K. Signal Ltd. (IL) 2005-11-16 — — EP disclosed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 — — 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-20060025430-A1 Novel irreversible inhibitors of epidermal growth factor receptor tyrosine kinase and uses thereof for therapy and diagnosis EGFR, ERBB2, ERBB3 KDM4E 1709/4885MEN1 3741/4885KMT2A 1091/4885

“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.