SCHEMBL3461653

SCHEMBL3461653

O=C(NCc1ccccc1)c1cccc(NC(=O)c2cnccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 3/20 0.61
NPC1 O15118 2/20 0.61
KDR P35968 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
NAMPT P43490 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ROCK2 O75116 3/20 0.56
GRK2 P25098 3/20 0.56
PRKCA P17252 1/20 0.56
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL11078736 0.83 RAB9A (0.74) RAB9ASMN1; SMN2HPGDNPC1L3MBTL1
SCHEMBL3462236 0.83 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL27952268 0.81 LMNA (0.70) RAB9ASMN1; SMN2HPGDNPC1L3MBTL1
SCHEMBL7608096 0.80 ROCK2 (0.50) RAB9ASMN1; SMN2HPGDNPC1KDR
SCHEMBL1452104 0.78 RAB9A (0.71) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL3768797 0.77 CYP11B2 (0.61) SMN1; SMN2NPC1L3MBTL1NAMPTLMNA
SCHEMBL3778572 0.76 PPARG (0.73) RAB9ASMN1; SMN2HPGDNPC1L3MBTL1
SCHEMBL7605675 0.75 HTT (0.72) SMN1; SMN2HPGDL3MBTL1NAMPTKMT2A
SCHEMBL8561634 0.75 EPHX1 (0.60) SMN1; SMN2NPC1L3MBTL1NAMPTLMNA
SCHEMBL11900328 0.74 HDAC6 (0.87) RAB9ASMN1; SMN2HPGDNPC1MEN1

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 RAB9A 2909/4885SMN1; SMN2 4557/4885HPGD 1272/4885

“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.