SCHEMBL18172301

SCHEMBL18172301

Nc1cc(Br)cnc1NCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
CYP3A4 P08684 7/20 0.44
CYP1A2 P05177 6/20 0.44
CYP2D6 P10635 5/20 0.44
LMNA P02545 4/20 0.44
HIF1A Q16665 3/20 0.44
CYP2C19 P33261 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
EGFR P00533 3/20 0.44
CHRM1 P11229 1/20 0.43
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ALOX15 P16050 2/20 0.42

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
SCHEMBL4528209 0.89 MEN1 (0.40) PIM1HSD17B10MEN1KMT2AACHE
SCHEMBL20061673 0.82 IRAK1 (0.42) CYP1A2CYP2C19MEN1KMT2ACNR1
SCHEMBL14905758 0.82 LMNA (0.46) PIM1LMNAMEN1KMT2AEGFR
SCHEMBL1256953 0.81 ACHE (0.56) CYP3A4CYP1A2CYP2D6LMNACYP2C19
SCHEMBL11235791 0.79 CYP3A4 (0.48) CYP3A4CYP1A2CYP2D6LMNAHIF1A
SCHEMBL18172287 0.79 MAPT (0.47) CYP1A2CYP2D6LMNACYP2C19MEN1
SCHEMBL1257037 0.77 KMT2A (0.51) PIM1CYP3A4CYP2D6LMNAMEN1
SCHEMBL3344759 0.77 RXFP1 (0.52) CYP3A4CYP1A2CYP2D6LMNAHIF1A
SCHEMBL3951404 0.77 TOP2A (0.45) PIM1CYP3A4CYP1A2CYP2D6LMNA
SCHEMBL1251922 0.77 L3MBTL1 (0.46) CYP3A4CYP2D6LMNACYP2C19HSD17B10

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
CN-107750251-B Isoxazolyl-substituted imidazopyridines 塞尔森瑞科有限责任公司 2020-09-01 CN disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
EP-3286188-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 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 (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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 PIM1 306/4885CYP3A4 1393/4885CYP1A2 2584/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 PIM1 306/4885CYP3A4 1393/4885CYP1A2 2584/4885

“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.