SCHEMBL16726673

SCHEMBL16726673

N=C(c1ccc(CC(=O)NC2CC2)cc1)c1c(Nc2c(F)cccc2F)c(Br)c[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 8/20 0.36
TYK2 P29597 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
EPHX2 P34913 1/20 0.34
RET P07949 1/20 0.34
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16623518 0.86 KMT2A (0.31) KMT2A
SCHEMBL16623486 0.85 TAAR1 (0.32) RAB9A
SCHEMBL16623533 0.77 F10 (0.34)
SCHEMBL16726665 0.75 ALDH2 (0.33) TYK2KMT2A
SCHEMBL17849207 0.75 ROCK1 (0.39) ALDH1A1MEN1KMT2AROCK1RAB9A
SCHEMBL16726672 0.73 CDK2 (0.32)
SCHEMBL16726670 0.71
SCHEMBL17849208 0.69 HDAC6 (0.33) LMNAALDH1A1KMT2A
SCHEMBL16623450 0.69 NPC1 (0.32) LMNA
SCHEMBL16726656 0.68 PTGS2 (0.33) TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LMNA 1474/4885SIGMAR1 4698/4885TYK2 467/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 LMNA 1474/4885SIGMAR1 4698/4885TYK2 467/4885

“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.