SCHEMBL15660587

SCHEMBL15660587

CC(C)(C)OC(=O)Nc1ncc(Br)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
AR P10275 3/20 0.40
SSTR4 P31391 1/20 0.40
LCK P06239 2/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
SYK P43405 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RORC P51449 1/20 0.35
NOTUM Q6P988 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATR Q13535 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL17202399 0.85 AAK1 (0.43) AAK1LCKSYKRORCNPC1
SCHEMBL29360815 0.85 AAK1 (0.43) AAK1LCKSYKRORCNPC1
SCHEMBL24366932 0.84 LMNA (0.40) AAK1LMNAPOLBARCACNA1H
SCHEMBL29477586 0.84 LMNA (0.40) AAK1LMNAPOLBARCACNA1H
SCHEMBL2960307 0.83 AAK1 (0.43) AAK1LCKSYKRORCNPC1
SCHEMBL1181471 0.82 AAK1 (0.51) AAK1LCKRORCNPC1RECQL
SCHEMBL2404084 0.81 ALDH1A1 (0.39) SSTR4SMN1; SMN2KDR
SCHEMBL858165 0.81 AAK1 (0.42) AAK1LCKRORCNPC1RECQL
SCHEMBL17310500 0.80 ASPH (0.38) LMNASSTR4NPC1RAB9ASMN1; SMN2
SCHEMBL29081695 0.80 ALDH1A1 (0.49) LMNAPOLBARNPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912037-B1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US disclosed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 US disclosed
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-12-10 US disclosed
US-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-12-10 US disclosed
EP-2912037-A1 2-AMINOPYRIDINE COMPOUNDS Merck Patent GmbH (DE) 2015-09-02 EP disclosed
WO-2014063778-A1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2014-05-01 WO 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-20150353548-A1 2-AMINOPYRIDINE COMPOUNDS SKP2, CDKN1A, MKI67 AAK1 294/4885LMNA 2152/4885POLB 339/4885

“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.