SCHEMBL15329344

SCHEMBL15329344

N#CN(C(=N)Oc1ccccc1)c1ccc(N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
MGLL Q99685 2/20 0.40
ESRRG P62508 5/20 0.40
ESR1 P03372 4/20 0.40
ESRRA P11474 2/20 0.40
ESRRB O95718 3/20 0.39
GRIN2B Q13224 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
SLC18A3 Q16572 1/20 0.38
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL10316692 0.82 KMT2A (0.45) KDM4EALDH1A1SLC18A3MAPT
SCHEMBL10316678 0.77 PDCD1 (0.39) MGLLL3MBTL1ALDH1A1HRH3MBTD1
SCHEMBL931188 0.72 MAPT (0.44) SIGMAR1MGLLESRRGESR1ESRRA
SCHEMBL931189 0.72 MAPT (0.44) SIGMAR1MGLLESRRGESR1ESRRA
SCHEMBL22848097 0.71 L3MBTL3 (0.70) SIGMAR1GRIN2BL3MBTL1KDM4EALDH1A1
SCHEMBL22848095 0.71 L3MBTL3 (0.70) SIGMAR1GRIN2BL3MBTL1KDM4EALDH1A1
SCHEMBL8584491 0.71 L3MBTL3 (0.70) SIGMAR1GRIN2BL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8814411 0.69 L3MBTL3 (0.68) SIGMAR1ESRRGESR1ESRRAESRRB
SCHEMBL13648726 0.69 L3MBTL3 (0.72) SIGMAR1GRIN2BL3MBTL1KDM4EALDH1A1
SCHEMBL3955460 0.69 LTA4H (0.54) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809347-B2 Bicyclic aryl and bicyclic heteroaryl substituted triazoles useful as AXL inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2013-10-24 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 (1 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-20130281468-A1 BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 SIGMAR1 3378/4885MGLL 2643/4885ESRRG 778/4885

“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.