SCHEMBL17018656

SCHEMBL17018656

CNc1nc(Nc2cc(C)cc(C)c2)nc(Nc2cccc(C(=O)O)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.68
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.53
SYK P43405 4/20 0.52
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IDH2 P48735 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CSNK2A1 P68400 1/20 0.47
AURKA O14965 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
PRKCA P17252 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL30633056 0.84 RHOA (0.93) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL26135613 0.84 RHOA (0.93) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL19730264 0.84 RHOA (0.62) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL31167291 0.82 RHOA (0.73) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL2365647 0.80 RHOA (0.74) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL28238119 0.79 RHOA (0.82) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL13818459 0.78 RHOA (0.66) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL14817396 0.77 RHOA (0.79) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL1552392 0.77 RHOA (0.79) RHOANPC1RAB9AMEN1KMT2A
SCHEMBL15401972 0.77 KCNH3 (0.60) RHOANPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346768-B2 Molecular glasses with functionalizable groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENSE (CA) 2016-05-24 US disclosed
US-9346768-B2 Molecular glasses with functionalizable groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENSE (CA) 2016-05-24 US disclosed
US-9328076-B2 Molecular glasses with functionalizable groups HER MAJESTY IN THE RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF DEFENSE (CA) 2016-05-03 US disclosed
US-9328076-B2 Molecular glasses with functionalizable groups HER MAJESTY IN THE RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF DEFENSE (CA) 2016-05-03 US disclosed
US-20150232433-A1 Molecular Glasses With Functionalizable Groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 2015-08-20 US disclosed
US-20150232433-A1 Molecular Glasses With Functionalizable Groups HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 2015-08-20 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-20150232433-A1 Molecular Glasses With Functionalizable Groups GDI1, GNG2, F12 RHOA 43/4885NPC1 3113/4885RAB9A 132/4885

“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.