SCHEMBL4048465

SCHEMBL4048465

COc1cccc(-n2nc(-c3ccccc3)cc2N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
NPC1 O15118 7/20 0.62
ALDH1A1 P00352 4/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 4/20 0.61
STAT1 P42224 1/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
TSHR P16473 1/20 0.60
GFER P55789 1/20 0.60
KDM4E B2RXH2 2/20 0.57
NPY5R Q15761 3/20 0.57
POLB P06746 2/20 0.54
PKM P14618 1/20 0.51
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL1144023 0.87 RAB9A (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL30229566 0.87 NPY5R (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL537890 0.83 RAB9A (0.83) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL30229798 0.80 RAB9A (0.84) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL4055792 0.79 LMNA (0.71) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL30229624 0.78 RAB9A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL28514164 0.77 MAPT (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1
SCHEMBL4054606 0.77 LMNA (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL13975280 0.76 KLK3 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1143708 0.76 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1NFKB1

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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 RAB9A 3268/4885SMN1; SMN2 4040/4885NPC1 4774/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 RAB9A 3038/4885SMN1; SMN2 1101/4885NPC1 4635/4885

“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.