Sugi Predict

Sugi Predict / Compounds / SCHEMBL10248935

SCHEMBL10248935

SCHEMBL10248935

CCCCC1CC(NC[C@H]2C[C@@H](n3ccc4c(NCc5ccc(OC)cc5OC)ncnc43)[C@@H]3OC(C)(C)O[C@H]23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 17/20 0.38
▸ CYP3A4 P08684 17/20 0.38
▸ CYP2C19 P33261 15/20 0.38
▸ ALDH1A1 P00352 13/20 0.38
▸ CYP2D6 P10635 13/20 0.38
▸ CLK4 Q9HAZ1 12/20 0.38
▸ TSHR P16473 10/20 0.38
▸ USP2 O75604 10/20 0.38
▸ LMNA P02545 10/20 0.38
▸ HSD17B10 Q99714 9/20 0.38
▸ MAPK1 P28482 8/20 0.38
▸ HIF1A Q16665 6/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP2C9 P11712 11/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9104853 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9913561 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9104849 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9913615 0.90 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9288247 0.89 MAPT (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
Ammonia Solution, Strong SCHEMBL9109945 0.89 MAPT (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL10252410 0.87 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
Ammonia Solution, Strong SCHEMBL20515422 0.86 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9107004 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL9106218 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 — — US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 — — US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 — — US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 — — US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 — — US 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 (3 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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 CYP1A2 2702/4885CYP3A4 3134/4885CYP2C19 4012/4885

“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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