SCHEMBL2265889

SCHEMBL2265889

CCn1cnc(-c2cccc(Cc3nn(-c4cccc(C(N)=O)c4)ccc3=O)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.37
HDAC6 Q9UBN7 8/20 0.37
FYN P06241 1/20 0.37
POLB P06746 1/20 0.35
IDH1 O75874 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLO1 Q04760 1/20 0.34
PARP1 P09874 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2222081 0.93 HDAC1 (0.36) HDAC1HDAC6FYNPOLBIDH1
SCHEMBL13275134 0.85 GRM5 (0.39) IDH1ALDH1A1
SCHEMBL2266045 0.84 HDAC1 (0.34) HDAC1HDAC6POLBALDH1A1HPGD
SCHEMBL13274906 0.83 IGF1R (0.34) HDAC1HDAC6ALDH1A1
SCHEMBL12516728 0.83 TTK (0.39) FYNPOLBIDH1MEN1KMT2A
SCHEMBL12517654 0.82 HDAC1 (0.35) HDAC1HDAC6
SCHEMBL2262984 0.82 IGF1R (0.36) HDAC1HDAC6FYN
SCHEMBL13275074 0.81 IGF1R (0.35) HDAC1HDAC6
SCHEMBL2270753 0.79 IGF1R (0.37) HDAC1HDAC6
SCHEMBL13274575 0.78 HDAC1 (0.33) HDAC1HDAC6

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 HDAC1 1393/4885HDAC6 1298/4885FYN 55/4885

“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.