SCHEMBL17197477

SCHEMBL17197477

COc1cc(C2=CCNCC2)ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
BRD4 O60885 1/20 0.43
LCK P06239 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
TEK Q02763 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
BRPF1 P55201 1/20 0.42
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL14810088 0.82 ROCK2 (0.56) QDPRNPC1RAB9AALDH1A1MAOB
SCHEMBL28137141 0.78 LCK (0.45) HRH3KMT2ANPC1RAB9ALCK
Trifluoroacetic Acid SCHEMBL18764006 0.78 QDPR (0.56) QDPRBRPF1ALDH1A1SIGMAR1TGFBR1
SCHEMBL17197481 0.77 HRH3 (0.49) QDPRHRH3KMT2ANPC1RAB9A
SCHEMBL17197366 0.77 NAMPT (0.51) QDPRHRH3KMT2ABRD4LCK
SCHEMBL28328509 0.76 LCK (0.44) HRH3KMT2ANPC1RAB9ALCK
SCHEMBL9524227 0.74 NPC1 (0.56) KMT2ANPC1RAB9ALCKSRC
SCHEMBL5783658 0.74 HTT (0.59) KMT2ANPC1RAB9ACA1CA2
SCHEMBL24891731 0.74 QDPR (0.48) QDPRKMT2ABRPF1ALDH1A1MEN1
SCHEMBL1781247 0.73 LNPEP (0.48) QDPRHRH3KMT2AALDH1A1MEN1

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 QDPR 2375/4885HRH3 2878/4885KMT2A 1228/4885

“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.