SCHEMBL7229228

SCHEMBL7229228

CC(=O)Nc1nc(-c2ccc3ccccc3c2)cn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
OGT O15294 2/20 0.54
UTRN P46939 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
GSK3B P49841 1/20 0.44
ITK Q08881 1/20 0.44
DYRK1A Q13627 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ALPL P05186 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CTRC Q99895 1/20 0.42

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
SCHEMBL7248853 0.83 RAB9A (0.58) RAB9ANPC1OGTGSK3BDYRK1A
SCHEMBL4726593 0.75 ALDH1A1 (0.74) RAB9ANPC1OGTUTRNALDH1A1
SCHEMBL7232377 0.72 NPC1 (0.58) RAB9ANPC1OGTUTRNADORA3
SCHEMBL29392059 0.71 NPC1 (0.56) RAB9ANPC1OGTUTRNADORA3
SCHEMBL7215980 0.71 KDM4E (0.46) RAB9AADORA2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7222413 0.71 SMN1; SMN2 (0.49) RAB9ANPC1DYRK1ACLK4ALDH1A1
SCHEMBL14722452 0.70 SMN1; SMN2 (0.66) RAB9ANPC1OGTUTRNALDH1A1
SCHEMBL7216143 0.70 ATP1A1 (0.51)
SCHEMBL7217988 0.70 ATP1A1 (0.51)
SCHEMBL7216336 0.69 LMNA (0.45) ALDH1A1SMN1; SMN2POLBMAPTNPSR1

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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 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 (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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 RAB9A 3964/4885NPC1 2716/4885OGT 3883/4885

“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.