SCHEMBL10296341

SCHEMBL10296341

COc1cc2c(Oc3ccc([N+](=O)[O-])c(CC4(C)OCCO4)c3F)ccnc2cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.42
KDR P35968 5/20 0.41
MST1R Q04912 3/20 0.41
PDGFRA P16234 1/20 0.41
PDGFRB P09619 1/20 0.40
HGF P14210 1/20 0.40
AXL P30530 2/20 0.40
AURKA O14965 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RPS6KB1 P23443 1/20 0.39
FLT4 P35916 1/20 0.39
TEK Q02763 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL1549776 0.86 MET (0.48) METKDRMST1RPDGFRAAXL
SCHEMBL28512289 0.84 MET (0.47) METKDRMST1RPDGFRAPDGFRB
SCHEMBL1549363 0.84 MET (0.43) METKDRMST1RPDGFRAHGF
SCHEMBL2335546 0.82 KDR (0.49) METKDRMST1RPDGFRAAXL
SCHEMBL28907136 0.80 MET (0.48) METKDRMST1RPDGFRAAXL
SCHEMBL4483017 0.79 MET (0.55) METKDRMST1RPDGFRAHGF
SCHEMBL371803 0.79 MET (0.55) METKDRMST1RPDGFRAHGF
SCHEMBL30713842 0.79 MET (0.55) METKDRMST1RPDGFRAHGF
SCHEMBL28530276 0.78 MET (0.45) METKDRMST1RPDGFRAAXL
SCHEMBL1876626 0.78 AXL (0.54) METKDRPDGFRAPDGFRBAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864050-B Method for synthesizing Arotinib and hydrochloride thereof 上海博璞诺科技发展有限公司 2019-12-10 CN claimed
CN-108864050-B Method for synthesizing Arotinib and hydrochloride thereof 上海博璞诺科技发展有限公司 2019-12-10 CN disclosed
EP-2312950-B1 COMPOUNDS AS KINASE INHIBITORS ADVENCHEN LAB LLC (US) 2016-11-30 EP disclosed
US-8211911-B2 Compounds as kinase inhibitors CHEN GUOQING PAUL (US) 2012-07-03 US disclosed
US-8211911-B2 Compounds as kinase inhibitors CHEN GUOQING PAUL (US) 2012-07-03 US disclosed
US-20100048599-A1 Compounds As Kinase Inhibitors CHEN GUOQING PAUL 2010-02-25 US disclosed
US-20100048599-A1 Compounds As Kinase Inhibitors CHEN GUOQING PAUL 2010-02-25 US disclosed
WO-2010021918-A1 COMPOUNDS AS KINASE INHIBITORS ADVENCHEN LABORATORIES, LLC (US) 2010-02-25 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-20100048599-A1 Compounds As Kinase Inhibitors MAP3K1, MAP3K5, MAP3K6 MET 472/4885KDR 44/4885MST1R 605/4885

“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.