SCHEMBL4989928

SCHEMBL4989928

N#CN=C(Nc1ccc(N2CCN(C3CC4CCC3C4)CC2)cc1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
AXL P30530 7/20 0.42
KDR P35968 6/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.36
NAMPT P43490 1/20 0.35
SLC18A3 Q16572 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
SCHEMBL14090626 1.00 KMT2A (0.44) KMT2APKMAXLKDRMAPT
SCHEMBL11321364 1.00 KMT2A (0.44) KMT2APKMAXLKDRMAPT
SCHEMBL931189 0.82 MAPT (0.44) KMT2APKMMAPTGAAKDM4E
SCHEMBL931188 0.82 MAPT (0.44) KMT2APKMMAPTGAAKDM4E
SCHEMBL4993854 0.82 KMT2A (0.51) KMT2APKMAXLKDRMAPT
SCHEMBL4993845 0.82 KMT2A (0.51) KMT2APKMAXLKDRMAPT
SCHEMBL19490629 0.81 MAPT (0.38) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL929906 0.80 GAA (0.63) KMT2AKDRMAPTGAAKDM4E
SCHEMBL929907 0.80 GAA (0.63) KMT2AKDRMAPTGAAKDM4E
SCHEMBL12782020 0.78 KMT2A (0.47) KMT2AMAPTGAAKDM4EALDH1A1

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 2447/4885AXL 1/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KMT2A 2917/4885PKM 2447/4885AXL 1/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK KMT2A 2917/4885PKM 2447/4885AXL 1/4885
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 3388/4885AXL 1/4885

“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.