SCHEMBL4993845

SCHEMBL4993845

N#CN/C(=N/c1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.41
AXL P30530 7/20 0.39
KDR P35968 6/20 0.39
SLC18A3 Q16572 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL4993854 1.00 KMT2A (0.51) KMT2APKMKDM4EAXLKDR
SCHEMBL14090626 0.82 KMT2A (0.44) KMT2APKMKDM4EAXLKDR
SCHEMBL4989928 0.82 KMT2A (0.44) KMT2APKMKDM4EAXLKDR
SCHEMBL11321364 0.82 KMT2A (0.44) KMT2APKMKDM4EAXLKDR
SCHEMBL2088866 0.79 KMT2A (0.62) KMT2APKMKDM4EALDH1A1MEN1
SCHEMBL2088865 0.79 KMT2A (0.62) KMT2APKMKDM4EALDH1A1MEN1
SCHEMBL10316692 0.75 KMT2A (0.45) KMT2APKMKDM4EAXLKDR
SCHEMBL17166950 0.75 KDM4E (0.57) KMT2APKMKDM4EAXLKDR
SCHEMBL11315406 0.75 KDM4E (0.57) KMT2APKMKDM4EAXLKDR
SCHEMBL13698447 0.75 KDM4E (0.57) KMT2APKMKDM4EAXLKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
EP-2079736-B1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
EP-2476679-B1 Substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS INC (US) 2015-10-14 EP disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 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 (4 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK KMT2A 2917/4885PKM 2447/4885KDM4E 4019/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KMT2A 2917/4885PKM 2447/4885KDM4E 4019/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KMT2A 2917/4885PKM 2447/4885KDM4E 4019/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 KMT2A 1602/4885PKM 3388/4885KDM4E 1183/4885

“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.