SCHEMBL13262115

SCHEMBL13262115

CCc1ncc2c(n1)-c1ccccc1CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
IKBKB O14920 2/20 0.46
DUSP10 Q9Y6W6 1/20 0.44
DRD4 P21917 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 2/20 0.43
HTT P42858 2/20 0.42
KPNA2 P52292 1/20 0.42
NPY5R Q15761 4/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL10271456 0.94 KDM4E (0.59) KDM4EALDH1A1POLBIKBKBDUSP10
SCHEMBL15759146 0.80 KDM4E (0.57) KDM4EALDH1A1POLBIKBKBDUSP10
SCHEMBL13373296 0.78 IKBKB (0.55) KDM4EALDH1A1POLBIKBKBDUSP10
SCHEMBL10202581 0.77 KDM4E (0.54) KDM4EALDH1A1POLBIKBKBDUSP10
SCHEMBL10271457 0.77 ALDH1A1 (0.50) KDM4EALDH1A1DRD4GAAMEN1
SCHEMBL4736088 0.76 KDM4E (0.87) KDM4EALDH1A1POLBIKBKBDRD4
SCHEMBL1509445 0.76 KDM4E (0.57) KDM4EALDH1A1POLBIKBKBDUSP10
SCHEMBL12256547 0.72 KDM4E (0.65) KDM4EALDH1A1POLBIKBKBDUSP10
SCHEMBL10272451 0.72 CDK5 (0.43) MAOB
SCHEMBL13373267 0.72 CYP1A2 (0.58) KDM4EALDH1A1POLBIKBKBDUSP10

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-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-01 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 (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-20100168416-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885ALDH1A1 4540/4885POLB 3711/4885
US-20120264740-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 KDM4E 4036/4885ALDH1A1 4540/4885POLB 3711/4885

“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.