SCHEMBL467520

SCHEMBL467520

N#CN=C(Nc1ccc2c(c1)CC[C@@H](N)CC2)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL2056692 1.00 ADRA2A (0.38) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL13211824 0.87 MCHR1 (0.37) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL1638512 0.84 HRH3 (0.42) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL1638017 0.84 HRH3 (0.42) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL467616 0.84 HRH3 (0.42) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL467615 0.84 HRH3 (0.42) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL19633153 0.84 HRH3 (0.42) ADRA2ANPC1RAB9AMEN1KMT2A
SCHEMBL2056591 0.80 DRD2 (0.42) NPC1RAB9AKMT2AMCHR1
SCHEMBL2056589 0.80 DRD2 (0.42) NPC1RAB9AKMT2AMCHR1
SCHEMBL467519 0.77 FAAH (0.39) NPC1RAB9AMCHR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150216864-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-08-06 US disclosed
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 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-20150216864-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 ADRA2A 2771/4885NPC1 4043/4885RAB9A 2186/4885

“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.