SCHEMBL2837814

SCHEMBL2837814

CNCc1cc(Sc2ccc(Cl)nc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
HTR2C P28335 7/20 0.39
HTR2A P28223 4/20 0.35
MAPK14 Q16539 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC16A3 O15427 2/20 0.32
SLC16A1 P53985 2/20 0.32
PKM P14618 1/20 0.32
MAPK11 Q15759 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL3029896 0.99 SLC6A4 (0.38) SLC6A4HTR2CHTR2AMAPK14SLC6A2
SCHEMBL2836814 0.80 HTR2C (0.39) SLC6A4HTR2CHTR2AMAPK14TMEM97
SCHEMBL2838664 0.80 SMN1; SMN2 (0.38) SLC16A3SLC16A1MEN1KMT2AMAPT
SCHEMBL2838662 0.80 SLC16A3 (0.38) SLC6A4HTR2CSLC16A3SLC16A1MEN1
SCHEMBL2839606 0.80 SLC6A4 (0.38) SLC6A4HTR2CHTR2AMAPK14SLC6A2
SCHEMBL2840457 0.79 MALT1 (0.40) MAPK14MEN1KMT2A
SCHEMBL3029599 0.77 SLC16A3 (0.37) SLC16A3SLC16A1MEN1KMT2AMAPT
SCHEMBL3029606 0.76 SLC16A3 (0.38) SLC6A4HTR2CSLC16A3SLC16A1MEN1
SCHEMBL3029602 0.76 HTR2C (0.49) SLC6A4HTR2CHTR2ASLC16A3SLC16A1
SCHEMBL3702102 0.75 MDM2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP claimed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US claimed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US claimed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 EP claimed
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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 (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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R SLC6A4 1108/4885HTR2C 1425/4885HTR2A 3226/4885

“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.