SCHEMBL3035542

SCHEMBL3035542

N#Cc1ccc(Nc2ccccn2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
GRM4 Q14833 4/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KLF5 Q13887 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3034678 0.83 SYK (0.46) KDRLRRK2GRM4NPC1RAB9A
SCHEMBL3040658 0.77 KDR (0.52) KDRKMT2AMEN1MAPK10GFER
SCHEMBL3038970 0.77 PIM1 (0.52) KDRKMT2AMEN1MAPK10GFER
SCHEMBL5408787 0.75 IMPDH2 (0.40) KMT2AMEN1ABCG2
SCHEMBL16227778 0.74 ABCG2 (0.57) KDRKMT2AMEN1MAPK10GFER
SCHEMBL13178586 0.74 FDPS (0.42) KDRKMT2AGRM4ABCG2KDM4E
SCHEMBL2486834 0.74 GRM4 (0.52) KMT2AMEN1MAPK10GFERGRM4
SCHEMBL10289572 0.74 GRM4 (0.57) KDRGRM4ABCG2
SCHEMBL3038930 0.72 PLA2G7 (0.47) KMT2AMEN1NPC1HTTRAB9A
SCHEMBL2485887 0.72 KMT2A (0.55) KMT2AMEN1MAPK10GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO 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 (2 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-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 KDR 2367/4885LRRK2 584/4885KMT2A 513/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 KDR 1458/4885LRRK2 2442/4885KMT2A 2381/4885

“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.