Sugi Predict

Sugi Predict / Compounds / SCHEMBL368618

SCHEMBL368618

SCHEMBL368618

Cn1cc(-n2ccc(=O)c(N)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ FGFR1 P11362 3/20 0.34
▸ FGFR2 P21802 3/20 0.34
▸ FGFR3 P22607 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL13275030 0.83 KMT2A (0.38) CYP2C9KDM5AKMT2AMEN1HTT
SCHEMBL20250015 0.82 KDM5A (0.35) MAP4K4KDM5AFGFR1FGFR2FGFR3
SCHEMBL13275029 0.81 CYP2C9 (0.36) CYP2C9KDM5AKMT2AMEN1HTT
SCHEMBL367892 0.81 CYP2C9 (0.36) CYP2C9KDM5AKMT2AMEN1HTT
SCHEMBL163545 0.79 CYP2C9 (0.63) CYP2C9KDM5AKMT2AMEN1GAA
SCHEMBL158835 0.79 CYP2C9 (0.35) CYP2C9KDM5AKMT2AMEN1HTT
SCHEMBL173996 0.78 CYP2C9 (0.37) CYP2C9MAP4K4KDM5AKMT2AMEN1
SCHEMBL359649 0.76 GFER (0.33) MAP4K4KDM5AKMT2AGAA
SCHEMBL368935 0.76 KDM5A (0.34) CYP2C9KDM5AKMT2AMEN1HTT
SCHEMBL22041234 0.75 HTT (0.44) KDM5ALRRK2HTTGAAALDH1A1

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 11 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 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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 — — EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CYP2C9 4808/4885MAP4K4 121/4885KDM5A 1009/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET CYP2C9 4478/4885MAP4K4 140/4885KDM5A 584/4885

“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.