SCHEMBL21389901

SCHEMBL21389901

CCOC(=O)c1cnc(Cl)cc1NC[C@H](C)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.46
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
P2RX3 P56373 1/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21389883 0.89 GAA (0.53) IRAK4GAANPSR1RXFP1PDE4B
SCHEMBL16873076 0.89 GAA (0.53) IRAK4GAANPSR1RXFP1PDE4B
SCHEMBL4277553 0.84 ALDH1A1 (0.45) GAANPSR1ALDH1A1MAPTKDM4E
SCHEMBL15584189 0.82 KDM4E (0.44) GAANPSR1PDE4BALDH1A1MAPT
SCHEMBL29709761 0.82 IRAK4 (0.53) IRAK4GAANPSR1RXFP1ALDH1A1
SCHEMBL1521991 0.82 IRAK4 (0.53) IRAK4GAANPSR1RXFP1ALDH1A1
SCHEMBL16878927 0.82 IRAK4 (0.49) IRAK4GAANPSR1RXFP1ALDH1A1
SCHEMBL20330716 0.81 KDM4E (0.44) IRAK4GAAALDH1A1MAPTKDM4E
SCHEMBL21765472 0.81 IRAK4 (0.53) IRAK4GAANPSR1RXFP1ALDH1A1
SCHEMBL15714840 0.81 IRAK4 (0.53) IRAK4GAANPSR1RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US 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 (2 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-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 IRAK4 1/4885GAA 4462/4885NPSR1 4008/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 IRAK4 1/4885GAA 4462/4885NPSR1 4008/4885

“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.