SCHEMBL2899545

SCHEMBL2899545

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.54
JAK3 P52333 2/20 0.43
ALDH1A1 P00352 3/20 0.41
SYK P43405 2/20 0.39
MERTK Q12866 2/20 0.38
TYRO3 Q06418 1/20 0.38
GAS6 Q14393 1/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL13295728 0.89 REN (0.53) RENJAK3ALDH1A1SYKMERTK
SCHEMBL13295625 0.79 REN (0.44) RENJAK3ALDH1A1SYKKDM4E
SCHEMBL2902606 0.78 REN (0.46) RENJAK3ALDH1A1SYKMERTK
SCHEMBL13295321 0.73 REN (0.45) RENJAK3SYKMERTKTYRO3
SCHEMBL12992433 0.73 REN (0.90) REN
SCHEMBL22261169 0.72 JAK3 (0.57) RENJAK3ALDH1A1SYKSTK17B
Hydrochloric Acid SCHEMBL2897447 0.72 REN (0.88) REN
SCHEMBL12992045 0.72 REN (0.88) REN
SCHEMBL12992038 0.72 REN (0.88) REN
SCHEMBL12990727 0.72 REN (1.00) REN

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 4 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-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

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

“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.