SCHEMBL2158756

SCHEMBL2158756

COc1cc2c(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)ccnc2cc1OCCCC1(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.54
AXL P30530 7/20 0.54
KDR P35968 4/20 0.54
RET P07949 3/20 0.54
KIT P10721 3/20 0.54
FLT3 P36888 3/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
PDGFRB P09619 2/20 0.54
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
MERTK Q12866 3/20 0.51
AURKA O14965 2/20 0.51
RIPK2 O43353 2/20 0.51
ABL1 P00519 2/20 0.51
EGFR P00533 2/20 0.51
ERBB2 P04626 2/20 0.51
NTRK1 P04629 2/20 0.51
LCK P06239 2/20 0.51

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
SCHEMBL3422130 0.95 MET (0.52) METAXLKDRRETKIT
SCHEMBL3233656 0.92 AXL (0.55) METAXLKDRRETKIT
SCHEMBL3675221 0.92 MET (0.55) METAXLKDRRETKIT
Hydrochloric Acid SCHEMBL15918148 0.92 MET (0.56) METAXLKDRRETKIT
Hydrochloric Acid SCHEMBL15917992 0.92 MET (0.56) METAXLKDRRETKIT
Hydrochloric Acid SCHEMBL15917934 0.92 MET (0.56) METAXLKDRRETKIT
SCHEMBL28676846 0.92 MET (0.57) METAXLKDRRETKIT
SCHEMBL30786374 0.91 HDAC2 (0.56) METAXLKDRRETKIT
SCHEMBL28692805 0.91 HDAC2 (0.56) METAXLKDRRETKIT
SCHEMBL29182979 0.91 HDAC2 (0.56) METAXLKDRRETKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532657-B9 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2017-04-19 EP disclosed
EP-2532657-B1 Compounds and methods of use SUNSHINE LAKE PHARMA CO LTD (CN) 2016-08-31 EP disclosed
US-8426585-B2 Compounds comprising a spiro-ring Xi, Ning (US) 2013-04-23 US disclosed
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2012-12-13 US disclosed
EP-2532657-A2 Compounds and methods of use Sunshine Lake Pharma Co., Ltd (CN) 2012-12-12 EP disclosed
US-8293897-B2 Compounds comprising a spiro-ring and methods of use Xi, Ning (US) 2012-10-23 US disclosed
EP-2340244-A1 COMPOUNDS AND METHODS OF USE Xi, Ning (US) 2011-07-06 EP disclosed
WO-2010045095-A1 COMPOUNDS AND METHODS OF USE XI NING (US) 2010-04-22 WO disclosed
US-20100093727-A1 COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-04-15 US 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-20100093727-A1 COMPOUNDS AND METHODS OF USE PRKDC, PRKACA, PRKX MET 302/4885AXL 719/4885KDR 600/4885
US-20120315247-A1 COMPOUNDS COMPRISING A SPIRO-RING AND METHODS OF USE CDC42BPG, HRAS, PTPRJ MET 732/4885AXL 1146/4885KDR 728/4885

“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.