Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842787

SCHEMBL6842787

SCHEMBL6842787

Cc1nn2ccccc2c1-c1nc(-c2cccc(OCc3ccccc3)c2)c(-c2nc[nH]n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ EGFR P00533 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ BRAF P15056 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ ERBB4 Q15303 2/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ ARAF P10398 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ JAK3 P52333 2/20 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
SCHEMBL6842795 0.86 MAPK14 (0.35) KDRNPSR1VCP
SCHEMBL6842806 0.84 BRD4 (0.40) BRD4CYP3A4ALDH1A1HPGDKMT2A
SCHEMBL6842804 0.83 VCP (0.36) EGFRRAF1VCP
SCHEMBL6842801 0.83 VCP (0.33) VCP
SCHEMBL6845139 0.83 ALDH1A1 (0.35) ALDH1A1HPGDKMT2AJAK3JAK2
SCHEMBL6842803 0.83 BRD4 (0.35) BRD4EGFRKDRMAP2K2JAK2
SCHEMBL16937998 0.83 IGF1R (0.38) IGF1RBRD4EGFRCYP3A4BRAF
SCHEMBL952693 0.81 VCP (0.36) EGFRRAF1VCP
SCHEMBL6842805 0.81 KDM5B (0.38) ALDH1A1
SCHEMBL952279 0.81 PDE10A (0.32) BRD4CYP3A4KMT2APPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 IGF1R 57/4885BRD4 1202/4885EGFR 1084/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 IGF1R 24/4885BRD4 1047/4885EGFR 918/4885

“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.