SCHEMBL259126

SCHEMBL259126

Cc1cccc(NC(=O)C2CNCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 1/20 0.49
KHK P50053 1/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL18591277 0.86 NPSR1 (0.64) NPSR1RAB9ANPC1MEN1KMT2A
SCHEMBL13604501 0.83 DPP4 (0.49) MEN1KMT2APOLBL3MBTL1TP53
SCHEMBL11860116 0.83 DPP4 (0.49) MEN1KMT2APOLBL3MBTL1TP53
SCHEMBL27928186 0.83 DPP4 (0.49) MEN1KMT2APOLBL3MBTL1TP53
SCHEMBL29697282 0.82 NPSR1 (0.63) NPSR1RAB9ANPC1HSD17B10KHK
SCHEMBL31122583 0.82 NPSR1 (0.63) NPSR1RAB9ANPC1HSD17B10KHK
SCHEMBL17676960 0.82 NPSR1 (0.63) NPSR1RAB9ANPC1HSD17B10KHK
SCHEMBL12295117 0.82 NPSR1 (0.63) NPSR1RAB9ANPC1HSD17B10KHK
SCHEMBL10326684 0.82 NPSR1 (0.63) NPSR1RAB9ANPC1HSD17B10KHK
SCHEMBL259395 0.81 NPSR1 (0.66) NPSR1RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPSR1 4618/4885RAB9A 613/4885NPC1 1963/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A NPSR1 4618/4885RAB9A 613/4885NPC1 1963/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A NPSR1 4618/4885RAB9A 613/4885NPC1 1963/4885

“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.