SCHEMBL2268875

SCHEMBL2268875

CC(C)CCn1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.33
ENPP2 Q13822 1/20 0.32
CTSD P07339 2/20 0.31
BACE1 P56817 2/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
IGF1R P08069 4/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MET P08581 2/20 0.31
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
XPO1 O14980 2/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CTSV O60911 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL13275084 0.91 IGF1R (0.35) FYNENPP2IGF1RMETIRAK1
SCHEMBL12517718 0.90 IRAK4 (0.36) FYNENPP2IGF1RMETIRAK1
SCHEMBL2262984 0.90 IGF1R (0.36) FYNENPP2IGF1RMETIRAK1
SCHEMBL13274751 0.89 DGAT1 (0.37) FYNENPP2METHDAC1HDAC6
SCHEMBL2262464 0.89 DGAT1 (0.36) FYNENPP2CTSDBACE1BACE2
SCHEMBL13275090 0.88 IGF1R (0.39) FYNENPP2IGF1RMETHDAC1
SCHEMBL13275158 0.87 IRAK1 (0.38) FYNENPP2METIRAK1IRAK4
SCHEMBL13274820 0.87 IGF1R (0.34) FYNENPP2IGF1RMETIRAK1
SCHEMBL2276324 0.87 PPARG (0.33) FYNENPP2IGF1RHDAC1HDAC6
SCHEMBL13274689 0.87 IGF1R (0.40) FYNENPP2IGF1RMETHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
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-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 (1 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 FYN 55/4885ENPP2 1293/4885CTSD 3412/4885

“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.