SCHEMBL16610729

SCHEMBL16610729

COc1cc(OC)cc(C2CCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2C P28335 2/20 0.40
CHRM2 P08172 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL2808985 0.83 MEN1 (0.61) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL31494212 0.83 MEN1 (0.61) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL6178879 0.83 MEN1 (0.61) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL164122 0.81 MEN1 (0.59) MEN1KMT2AKCNH2CHRNB2CHRNA7
SCHEMBL31494195 0.81 MEN1 (0.59) MEN1KMT2AKCNH2CHRNB2CHRNA7
SCHEMBL6181098 0.81 MEN1 (0.59) MEN1KMT2AKCNH2CHRNB2CHRNA7
SCHEMBL3154247 0.78 HTR2C (0.56) MEN1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL12026078 0.78 ALDH1A1 (0.50) MEN1KMT2ACHRNB2CHRNA4ALDH1A1
SCHEMBL31511016 0.77 MEN1 (0.51) MEN1KMT2AKCNH2CHRNB2CHRNA7
SCHEMBL31511152 0.77 MEN1 (0.51) MEN1KMT2AKCNH2CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS NIPPON SHINYAKU CO., LTD. (JP) 2017-05-25 US disclosed
US-9580413-B2 Substituted pyrrolidines as ROS tyrosine kinase inhibitors NIPPON SHINYAKU CO., LTD. (JP) 2017-02-28 US disclosed
US-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2015-06-04 US disclosed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 EP 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-20150152095-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL HRH4, CYP3A4, CYP3A5 MEN1 1167/4885KMT2A 2423/4885KCNH2 524/4885
US-20170143722-A1 SUBSTITUTED PYRROLIDINES AS ROS TYROSINE KINASE INHIBITORS ROS1, NOX4, NOX3 MEN1 4343/4885KMT2A 2202/4885KCNH2 1334/4885

“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.