SCHEMBL259290

SCHEMBL259290

Cc1cccc(NC(=O)c2cnccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.69
NPC1 O15118 9/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
HPGD P15428 1/20 0.66
GAA P10253 1/20 0.65
ALDH1A1 P00352 3/20 0.64
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
TP53 P04637 2/20 0.63
USP2 O75604 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.60
SCN2A Q99250 1/20 0.57
SCN10A Q9Y5Y9 1/20 0.57
HTT P42858 1/20 0.56

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
SCHEMBL29723905 0.84 KDR (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL259238 0.84 KDR (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL30643208 0.84 KDR (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL12010995 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL18027795 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11078736 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL1452104 0.82 RAB9A (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3118458 0.81 KMT2A (0.62) SMN1; SMN2GAAALDH1A1MAPTMEN1
SCHEMBL2490566 0.81 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12764166 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230191383-A1 FORMULATIONS FOR METAL CATALYSIS IN WATER COMPRISING A SURFACTANT AND A LIPOPHILIC COMPOUND UNIVERSITE DE MONTPELLIER (FR) 2023-06-22 US disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
CN-112047879-B Method for selectively synthesizing halogenated arylamine by copper catalysis 浙江工业大学 2022-01-14 CN disclosed
CN-112047879-A Method for selectively synthesizing halogenated arylamine by copper catalysis 浙江工业大学 2020-12-08 CN disclosed
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 RAB9A 613/4885NPC1 1963/4885SMN1; SMN2 4764/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A RAB9A 613/4885NPC1 1963/4885SMN1; SMN2 4764/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A RAB9A 613/4885NPC1 1963/4885SMN1; SMN2 4764/4885

“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.