SCHEMBL2900464

SCHEMBL2900464

O=C(O)c1cnc(C(F)(F)F)nc1NCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.50
PDE8B O95263 1/20 0.50
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 5/20 0.43
TNK2 Q07912 5/20 0.43
MAPK1 P28482 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2902710 0.83 PDE8B (0.46) HCAR3PDE8BAURKARPS6KB1KMT2A
SCHEMBL23620371 0.83 HCAR3 (0.53) HCAR3AURKARPS6KB1KMT2AMEN1
SCHEMBL2899700 0.80 HCAR3 (0.50) HCAR3AURKARPS6KB1KDM4ETNK2
SCHEMBL15358448 0.74 HCAR3 (0.54) HCAR3AURKARPS6KB1TNK2MAPK1
SCHEMBL15635501 0.72 FOS (0.40) KMT2AKDM4E
SCHEMBL15349730 0.71 HCAR3 (0.53) HCAR3AURKARPS6KB1KMT2AMEN1
SCHEMBL4773575 0.71 TNK2 (0.47) HCAR3AURKARPS6KB1KDM4ETNK2
SCHEMBL2902103 0.70 KDM6B (0.45) HCAR3KMT2AKDM4EHPGDALDH1A1
SCHEMBL2894732 0.70 AGTR2 (0.53) KMT2AMEN1KDM4EMAPK1ALOX15
SCHEMBL2897485 0.70 CD38 (0.38) KMT2AMEN1KDM4E

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-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT HCAR3 1369/4885PDE8B 1513/4885AURKA 1154/4885

“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.