SCHEMBL259238

SCHEMBL259238

Cc1cccc(NC(=O)c2ccccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.72
GRM4 Q14833 7/20 0.70
HDAC6 Q9UBN7 1/20 0.70
KCNK3 O14649 1/20 0.68
KCNK9 Q9NPC2 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
CES1 P23141 1/20 0.62

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
SCHEMBL30643208 1.00 KDR (0.72) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL29723905 1.00 KDR (0.72) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL7990375 0.89 KDR (0.84) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL28036432 0.87 GAA (0.66) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL28871825 0.87 GAA (0.58) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL259290 0.84 RAB9A (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12197847 0.84 GRM4 (0.76) KDRGRM4SMN1; SMN2NPC1RAB9A
SCHEMBL29496401 0.83 GRM4 (1.00) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL2528081 0.83 GRM4 (0.72) KDRGRM4HDAC6KCNK3KCNK9
SCHEMBL2530324 0.83 GRM4 (1.00) KDRGRM4HDAC6KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 US disclosed
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2017184589-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-26 WO 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
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP 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 (5 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 KDR 628/4885GRM4 3432/4885HDAC6 191/4885
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS AHR, PAH, DOHH KDR 1117/4885GRM4 1333/4885HDAC6 860/4885
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates PAH, AHR, DDC KDR 782/4885GRM4 2325/4885HDAC6 1082/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDR 628/4885GRM4 3432/4885HDAC6 191/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDR 628/4885GRM4 3432/4885HDAC6 191/4885

“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.