SCHEMBL2894358

SCHEMBL2894358

COCCCNc1nc(C(C)C)ncc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.44
ALDH1A1 P00352 4/20 0.41
REN P00797 3/20 0.41
SYK P43405 1/20 0.40
MERTK Q12866 2/20 0.39
TYRO3 Q06418 1/20 0.39
GAS6 Q14393 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
HCAR3 P49019 2/20 0.38
POLB P06746 1/20 0.37
SIRT5 Q9NXA8 2/20 0.36
HPGD P15428 1/20 0.36
JAK2 O60674 1/20 0.36
HPGDS O60760 1/20 0.36
MAPK1 P28482 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
SCHEMBL2901196 0.86 KDM6B (0.46) JAK3MERTKTYRO3GAS6HCAR3
SCHEMBL2900897 0.82 ALDH1A1 (0.41) JAK3ALDH1A1RENKDM4EKMT2A
SCHEMBL2902606 0.79 REN (0.46) JAK3ALDH1A1RENSYKMERTK
SCHEMBL2901084 0.79 MERTK (0.49) JAK3ALDH1A1RENSYKMERTK
SCHEMBL2892883 0.75 PTGER4 (0.38) JAK3ALDH1A1KDM4EKMT2AHCAR3
SCHEMBL11083556 0.73 MERTK (0.47) JAK3ALDH1A1SYKMERTKTYRO3
SCHEMBL11168369 0.72 ALDH1A1 (0.74) JAK3ALDH1A1SYKKMT2AHCAR3
SCHEMBL22261169 0.71 JAK3 (0.57) JAK3ALDH1A1RENSYKJAK2
SCHEMBL13295728 0.70 REN (0.53) JAK3ALDH1A1RENSYKMERTK
SCHEMBL11162717 0.70 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AHCAR3HPGD

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 JAK3 4011/4885ALDH1A1 897/4885REN 1/4885

“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.