SCHEMBL13311142

SCHEMBL13311142

O=C(c1cc2c3c(ccc2[nH]1)NCC3)N1C[C@@H](CBr)c2c1cc(O)c1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
ADH1A P07327 2/20 0.43
KIT P10721 2/20 0.43
FLT1 P17948 2/20 0.43
ABL2 P42684 2/20 0.43
FLT4 P35916 1/20 0.43
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PLK4 O00444 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6518352 0.91 KDR (0.55) KDRADH1AKITFLT1ABL2
SCHEMBL17805754 0.84 HRH4 (0.35) MEN1KMT2ANPC1RXFP1HTT
SCHEMBL13311138 0.83 HRH4 (0.37) MEN1KMT2AHTTMAPT
SCHEMBL20195671 0.80 NPC1 (0.39) KDRMEN1KMT2ANPC1RXFP1
SCHEMBL6514798 0.75 ADH1A (0.54) KDRADH1AKITFLT1ABL2
SCHEMBL6514800 0.75 ADH1A (0.54) KDRADH1AKITFLT1ABL2
SCHEMBL13343605 0.75 HRH4 (0.37) KDRADH1AKITFLT1ABL2
SCHEMBL6517116 0.75 ADH1A (0.60) KDRADH1AKITFLT1ABL2
SCHEMBL6520705 0.73 ADH1A (0.56) KDRADH1AKITFLT1ABL2
SCHEMBL6521703 0.73 ADH1A (0.58) KDRADH1AKITFLT1ABL2

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-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 US disclosed
US-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF E. R. SQUIBB & SONS, L.L.C. 2010-05-06 US disclosed
US-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF E. R. SQUIBB & SONS, L.L.C. 2010-05-06 US disclosed
WO-2008103693-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-08-28 WO disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 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-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF DNPEP, ANTXR2, CLSPN KDR 1642/4885ADH1A 4084/4885KIT 4121/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN KDR 2445/4885ADH1A 3968/4885KIT 3698/4885

“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.