Sugi Predict

Sugi Predict / Compounds / SCHEMBL173258

SCHEMBL173258

SCHEMBL173258

Cn1cc(-n2ccc(=O)c(Cc3cccc(N)c3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.38
▸ BPTF Q12830 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ MET P08581 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ ABHD6 Q9BV23 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CDK1 P06493 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
SCHEMBL13465630 0.88 FYN (0.45) METENPP2FYNMEN1KMT2A
SCHEMBL2222601 0.87 HSD17B13 (0.36) METENPP2FYN
SCHEMBL2223676 0.87 ENPP2 (0.42) ALKENPP2PDE4BKDM4EALDH1A1
SCHEMBL255608 0.87 ALK (0.36) PARP1BPTFALKMETENPP2
SCHEMBL2274025 0.87 ENPP2 (0.34) METENPP2FYNMEN1KMT2A
SCHEMBL2222179 0.85 MET (0.40) METENPP2FYNMEN1KMT2A
SCHEMBL2223595 0.84 CREBBP (0.43) ALKMET
SCHEMBL13275216 0.84 CREBBP (0.38) METFYNKMT2A
SCHEMBL2221117 0.84 LMNA (0.42) MEN1KMT2AKDM4ELMNA
SCHEMBL12517697 0.83 PARP1 (0.38) PARP1ALKMET

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-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
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-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-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 PARP1 2307/4885BPTF 2405/4885ALK 61/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 PARP1 2443/4885BPTF 2151/4885ALK 43/4885

“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.