SCHEMBL15420903

SCHEMBL15420903

O=C(O)c1cn(-c2ccccn2)c2ncc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.58
ALKBH2 Q6NS38 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
SPR P35270 2/20 0.40
RORC P51449 2/20 0.38
TYK2 P29597 1/20 0.38
TSHR P16473 2/20 0.37
NAPRT Q6XQN6 1/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL15444671 0.90 HTR3A (0.61) HTR3AALKBH2EGLN1KDM4ELMNA
SCHEMBL15441071 0.86 HTR3A (0.59) HTR3ALMNASPRTSHRPOLB
SCHEMBL19346255 0.86 HTR3A (0.57) HTR3ASPRTSHRPOLBGAA
SCHEMBL4060213 0.81 HTR3A (0.54) HTR3AALKBH2EGLN1KDM4ERORC
SCHEMBL17163495 0.79 HTR3A (0.57) HTR3AKDM4ELMNA
SCHEMBL7169948 0.75 PDE4A (0.54) HTR3AALKBH2EGLN1KDM4ELMNA
SCHEMBL15557553 0.75 HTR3A (0.58) HTR3AKDM4ELMNAPOLBGAA
SCHEMBL15420794 0.75 HTR3A (1.00) HTR3A
SCHEMBL15420793 0.75 HTR3A (1.00) HTR3A
SCHEMBL6044056 0.74 HTR3A (0.53) HTR3AALKBH2EGLN1KDM4ERORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 EP disclosed
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2018-11-15 US disclosed
US-10125145-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-13 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2016-09-01 US disclosed
US-9346829-B2 5-HT3 receptor antagonists TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-02 US disclosed
EP-2875011-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-05-27 EP disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 US disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 WO disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (7 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885ALKBH2 4331/4885EGLN1 2788/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALKBH2 4331/4885EGLN1 2788/4885
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR3E HTR3A 1/4885ALKBH2 2275/4885EGLN1 2125/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALKBH2 4331/4885EGLN1 2788/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALKBH2 4331/4885EGLN1 2788/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALKBH2 4331/4885EGLN1 2788/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885ALKBH2 4331/4885EGLN1 2788/4885

“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.