SCHEMBL12708359

SCHEMBL12708359

Nc1n[nH]c(Nc2cccc(OCCN3CCOCC3)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
SYK P43405 2/20 0.49
AIMP2 Q13155 1/20 0.49
EPHX2 P34913 3/20 0.48
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK14 Q16539 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MAPT P10636 1/20 0.45
PRKCQ Q04759 1/20 0.45

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
SCHEMBL14578174 0.82 EPHX2 (0.61) SRCSYKEPHX2TSHRKDM4E
SCHEMBL4416345 0.79 SRC (0.48) SRCSYKAIMP2EPHX2EGFR
SCHEMBL3459161 0.78 SRC (0.57) SRCSYKAIMP2EPHX2EGFR
SCHEMBL12732920 0.78 TSHR (0.47) TSHRTP53SMN1; SMN2
SCHEMBL3459344 0.78 SRC (0.59) SRCSYKAIMP2EPHX2EGFR
SCHEMBL4209736 0.75 EPHX2 (0.54) SRCSYKAIMP2EPHX2EGFR
SCHEMBL14621966 0.75 EPHX2 (0.59) EPHX2TSHRKDM4ETP53ALDH1A1
SCHEMBL12864565 0.74 HDAC6 (0.50) SYKKDM4EALDH1A1MAPT
SCHEMBL521854 0.73 LTA4H (0.63) TSHRKDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL12837450 0.73 ALDH1A1 (0.60) EPHX2TSHRKDM4ETP53ALDH1A1

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
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
WO-2007030680-A2 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2007-03-15 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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 SRC 44/4885SYK 14/4885AIMP2 2211/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 SRC 11/4885SYK 13/4885AIMP2 1893/4885

“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.