SCHEMBL2397844

SCHEMBL2397844

COC(=O)N[C]1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
LMNA P02545 1/20 0.34
MAPT P10636 3/20 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
SCHEMBL27882879 0.98 TSHR (0.46) TSHRHPGDALDH1A1ALOX15HSD17B10
SCHEMBL2050426 0.87
SCHEMBL4603098 0.79 GAA (0.39) ALDH1A1
SCHEMBL19459258 0.77 SMN1; SMN2 (0.36) TSHRHPGDALDH1A1ALOX15HSD17B10
SCHEMBL1524529 0.75 ALDH1A1 (0.40) HPGDALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL5257547 0.75 ALDH1A1 (0.40) HPGDALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL27371945 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1827489 0.72
SCHEMBL10443538 0.70 PEPD (0.34) TSHRHPGDALDH1A1ALOX15HSD17B10
SCHEMBL28816372 0.70 GAA (0.50) HPGDALDH1A1SMN1; SMN2LMNAMAPT

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
CN-107849039-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2020-07-03 CN disclosed
EP-3313840-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-07-24 EP disclosed
US-10294229-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-21 US disclosed
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
EP-3313840-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS Bristol-Myers Squibb Company (US) 2018-05-02 EP disclosed
CN-107849039-A The aminopyridine compounds substituted through heteroaryl 百时美施贵宝公司 2018-03-27 CN disclosed
WO-2016210034-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 WO disclosed
EP-2373329-A2 USE OF EPIDERMAL GROWTH FACTOR INHIBITORS IN THE TREATMENT OF VIRAL INFECTION The Regents of the University of California (US) 2011-10-12 EP disclosed
US-20110236349-A1 Use of Epidermal Growth Factor Inhibitors in the Treatment of Viral Infection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-29 US disclosed
WO-2010123527-A2 USE OF EPIDERMAL GROWTH FACTOR INHIBITORS IN THE TREATMENT OF VIRAL INFECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-28 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 (3 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-10294229-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 TSHR 2095/4885HPGD 2314/4885ALDH1A1 1912/4885
US-20110236349-A1 Use of Epidermal Growth Factor Inhibitors in the Treatment of Viral Infection EGFR, HDGF, HGF TSHR 309/4885HPGD 3967/4885ALDH1A1 4171/4885
US-20180186799-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 TSHR 2095/4885HPGD 2314/4885ALDH1A1 1912/4885

“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.