SCHEMBL18094599

SCHEMBL18094599

Nc1c(Cl)cc(C(=O)NC2CCNCC2)c2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3A P46098 2/20 0.64
HTR3D Q70Z44 2/20 0.64
HTR3C Q8WXA8 2/20 0.64
HTR4 Q13639 2/20 0.50
DYRK1A Q13627 3/20 0.45
WNT1 P04628 2/20 0.45
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
BRD4 O60885 1/20 0.43
CRBN Q96SW2 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL16098023 0.84 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18094596 0.79 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16101629 0.78 HTR3A (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16103357 0.77 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16097291 0.77 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16097832 0.76 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16097506 0.76 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20118919 0.74 HAVCR2 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL23360011 0.73 PARP1 (0.52) HTR4CDK2CCNA1CCNT1CDK9
SCHEMBL16103633 0.72 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-2976337-B1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-05-02 EP disclosed
EP-2976337-B1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LTD (IN) 2018-05-02 EP disclosed
US-9790211-B2 5-amino-quinoline-8-carboxamide derivatives as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2017-10-17 US disclosed
US-9790211-B2 5-amino-quinoline-8-carboxamide derivatives as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2017-10-17 US disclosed
US-20160280694-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-09-29 US disclosed
US-20160280694-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-09-29 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 (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-20160280694-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A HTR3E 18/4885HTR3B 6/4885HTR3A 12/4885

“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.