SCHEMBL17197481

SCHEMBL17197481

COc1cc(C2=CCN(C3COC3)CC2)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
LCK P06239 1/20 0.46
SRC P12931 1/20 0.46
KDR P35968 1/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
TEK Q02763 1/20 0.46
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
MEN1 O00255 1/20 0.41
F10 P00742 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
QDPR P09417 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
SCHEMBL18764101 0.85 QDPR (0.45) ALDH1A1KMT2AMEN1TP53QDPR
SCHEMBL17197366 0.80 NAMPT (0.51) HRH3LCKSRCKDRLIMK1
SCHEMBL17197477 0.77 QDPR (0.52) HRH3LCKSRCKDRLIMK1
SCHEMBL21275196 0.77 NPC1 (0.42) HRH3ALDH1A1NPC1RAB9ATP53
SCHEMBL1781247 0.77 LNPEP (0.48) HRH3ALDH1A1KMT2AMEN1TP53
SCHEMBL21275359 0.77 TP53 (0.46) HRH3ALDH1A1MGLLNPC1RAB9A
SCHEMBL21275275 0.74 ALDH1A1 (0.43) HRH3ALDH1A1MGLLNPC1RAB9A
SCHEMBL28137141 0.73 LCK (0.45) HRH3LCKSRCKDRLIMK1
SCHEMBL12479708 0.73 NPC1 (0.52) HRH3ALDH1A1KMT2AMEN1F10
SCHEMBL12479311 0.73 HRH3 (0.51) HRH3ALDH1A1KMT2AMEN1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 HRH3 2878/4885LCK 7/4885SRC 6/4885

“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.