Sugi Predict

Sugi Predict / Compounds / SCHEMBL163368

SCHEMBL163368

SCHEMBL163368

CCOc1cnc2ccc(Br)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PDGFRB P09619 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PDGFRA P16234 2/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL26681624 0.87 PDE3B (0.47) SLC2A1ALDH1A1HPGDPDE3BPDE3A
SCHEMBL31716011 0.87 PDE3B (0.47) SLC2A1ALDH1A1HPGDPDE3BPDE3A
SCHEMBL360304 0.83 ALDH1A1 (0.54) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL187431 0.83 FBP1 (0.44) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL27273957 0.82 PDE3B (0.52) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL25262958 0.81 PDE3B (0.45) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL31052246 0.81 PDE3B (0.45) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL166407 0.80 KMT2A (0.49) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL31052337 0.78 PDGFRB (0.60) PDGFRBNPC1KMT2ACYP3A4PDGFRA
SCHEMBL25258837 0.78 PDGFRB (0.60) PDGFRBNPC1KMT2ACYP3A4PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 — — EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 — — US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 — — US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 — — WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 — — WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — 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 (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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET SLC2A1 1821/4885ALDH1A1 762/4885HPGD 2605/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 SLC2A1 3103/4885ALDH1A1 1464/4885HPGD 3504/4885

“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.