Sugi Predict

Sugi Predict / Compounds / SCHEMBL371334

SCHEMBL371334

SCHEMBL371334

CCOc1cnc2ccc(OCc3nn(-c4cc(F)cc(F)c4)ccc3=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.39
▸ P2RX7 Q99572 4/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MCHR1 Q99705 3/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL370859 0.91 ALDH1A1 (0.34) METPDE3BPDE3AGAARXFP1
SCHEMBL10283533 0.90 MET (0.50) METALDH1A1MEN1USP2CYP1A2
SCHEMBL12503439 0.89 MET (0.40) METP2RX7PDE3BPDE3ARXFP1
SCHEMBL174184 0.88 MET (0.38) METP2RX7PDE3BPDE3AGAA
SCHEMBL10283420 0.85 KMT2A (0.35) PDE3BPDE3AMCHR1ALDH1A1MEN1
SCHEMBL173298 0.85 BRD4 (0.38) METPDE3BPDE3A
SCHEMBL371017 0.83 PDE10A (0.39) METALDH1A1CYP3A4
SCHEMBL14915758 0.83 ALDH1A1 (0.34) PDE3BPDE3AGAAALDH1A1MEN1
SCHEMBL360253 0.82 MET (0.43) METCYP3A4
SCHEMBL360828 0.81 MET (0.39) METMCHR1ALDH1A1

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-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 — — EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 — — US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO claimed
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-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 MET 3/4885P2RX7 2713/4885PDE3B 2868/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MET 1/4885P2RX7 3045/4885PDE3B 3359/4885

“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.