SCHEMBL2901196

SCHEMBL2901196

CCCCNc1nc(C(C)C)ncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 3/20 0.46
KDM4C Q9H3R0 1/20 0.46
HCAR3 P49019 2/20 0.44
MAPK8 P45983 1/20 0.40
TYRO3 Q06418 3/20 0.40
MERTK Q12866 3/20 0.40
GAS6 Q14393 2/20 0.40
JAK3 P52333 4/20 0.39
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
KDM4A O75164 2/20 0.39
KDM4D Q6B0I6 2/20 0.39
KDM3B Q7LBC6 2/20 0.39
HIF1AN Q9NWT6 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
FLT3 P36888 1/20 0.38
POLB P06746 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
SIRT5 Q9NXA8 2/20 0.38

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
SCHEMBL2894358 0.86 JAK3 (0.44) HCAR3TYRO3MERTKGAS6JAK3
SCHEMBL2900897 0.83 ALDH1A1 (0.41) HCAR3JAK3JAK1JAK2SIRT5
SCHEMBL2897413 0.78 MERTK (0.61) TYRO3MERTKGAS6FLT3TLR8
SCHEMBL2902103 0.77 KDM6B (0.45) KDM6BKDM4CHCAR3MAPK8TYRO3
SCHEMBL2899700 0.71 HCAR3 (0.50) HCAR3
SCHEMBL25268627 0.70 MAPK8 (0.51) KDM6BKDM4CHCAR3MAPK8TYRO3
SCHEMBL11087674 0.70 MAPK8 (0.51) KDM6BKDM4CHCAR3MAPK8TYRO3
SCHEMBL19675751 0.70 KDM6B (0.44) KDM6BKDM4CHCAR3TYRO3MERTK
SCHEMBL19913366 0.70 HPGD (0.54) POLBGABRPGABRDGABRA1GABRB1
SCHEMBL31324963 0.70 HPGD (0.39) KDM6BHCAR3KDM4AKDM4DKDM3B

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 10 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
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 KDM6B 1361/4885KDM4C 1170/4885HCAR3 1369/4885

“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.