SCHEMBL2493629

SCHEMBL2493629

CN(C)CCCCNc1ccc(NC(=O)Cc2ccc(-n3cnc4cnccc43)cc2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.39
NTRK1 P04629 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 6/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
MCHR1 Q99705 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
KDR P35968 4/20 0.37
FLT1 P17948 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAF1 P04049 1/20 0.36

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
SCHEMBL1414407 0.90 KDR (0.47) SMN1; SMN2NPC1RAB9AATMKDR
SCHEMBL1407800 0.87 ROCK2 (0.40) ROCK2NTRK1SMN1; SMN2NPC1RAB9A
SCHEMBL2497536 0.86 MEN1 (0.41) ATMADRA1DADRA1AADRA1BHTR2B
SCHEMBL1408286 0.86 BRAF (0.43) ROCK2NTRK1SMN1; SMN2NPC1RAB9A
SCHEMBL1407868 0.77 AURKA (0.49) SMN1; SMN2NPC1RAB9AATMKDR
SCHEMBL1408170 0.77 KDR (0.58) ROCK2NTRK1SMN1; SMN2KDRFLT1
SCHEMBL1408389 0.76 ABL1 (0.58) ABL1BCRMKNK1MKNK2BRAF
SCHEMBL1408423 0.75 AURKA (0.50) SMN1; SMN2NPC1RAB9AATMADRA1D
SCHEMBL1408415 0.73 MAPT (0.43) ROCK2ATM
SCHEMBL5107638 0.70 KDR (0.55) KDRFLT1RAF1BRAFAURKA

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-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 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-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 ROCK2 193/4885NTRK1 1985/4885SMN1; SMN2 4231/4885

“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.