SCHEMBL1785420

SCHEMBL1785420

CCCCCCCCCCCCCCCNc1ccc2nccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
KDM4E B2RXH2 4/20 0.43
HTR1A P08908 3/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KCNH3 Q9ULD8 1/20 0.42
S1PR2 O95136 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
EPHX1 P07099 1/20 0.40
DNM2 P50570 3/20 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
SCHEMBL1782194 0.84 KDM4E (0.57) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL1783191 0.82 ABL1 (0.47) ABL1SMN1; SMN2KCNH3S1PR2LMNA
SCHEMBL28363772 0.82 NPC1 (0.52) ABL1MAPTMEN1KMT2APOLB
SCHEMBL11193185 0.80 HDAC6 (0.47) ABL1KDM4EMEN1KMT2AKCNH3
SCHEMBL14035880 0.79 KDM4E (0.50) KDM4EADRA1DADRA1AADRA1BMAPT
SCHEMBL8214084 0.79 ABL1 (0.53) ABL1KDM4EMAPTMEN1KMT2A
SCHEMBL8212647 0.79 ABL1 (0.53) ABL1KDM4EMAPTMEN1KMT2A
SCHEMBL8216585 0.79 ABL1 (0.53) ABL1KDM4EMAPTMEN1KMT2A
SCHEMBL1784168 0.79 ABL1 (0.44) ABL1HTR1AADRA1DADRA1AADRA1B
SCHEMBL11498100 0.76 ABL1 (0.59) ABL1MAPTKCNH3ALDH1A1ADRA2A

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-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 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-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HCRTR2, HCRTR1, CHRNA2 ABL1 3272/4885KDM4E 4678/4885HTR1A 86/4885

“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.