SCHEMBL351474

SCHEMBL351474

Cc1cc(N)cnc1-c1ccc(N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
KEAP1 Q14145 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HIF1A Q16665 1/20 0.35
CASP1 P29466 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CRHR1 P34998 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
Dipyridyl SCHEMBL3927610 0.86 KDM4E (0.46) ALDH1A1KDM4EPOLBCCR1CCR5
SCHEMBL14988156 0.76 KDM1A (0.44) ALDH1A1KDM4EPOLBCCR1CCR5
SCHEMBL25742607 0.75 KEAP1 (0.47) KEAP1CRHR1KMT2A
SCHEMBL14988418 0.74 KEAP1 (0.50) ALDH1A1KDM4EPOLBADRA2AADRA2B
SCHEMBL29374702 0.73 CA12 (0.46) ALDH1A1KDM4EPOLBADRA2AADRA2B
SCHEMBL1069905 0.73 CA12 (0.46) ALDH1A1KDM4EPOLBADRA2AADRA2B
SCHEMBL29758358 0.73 CA12 (0.46) ALDH1A1KDM4EPOLBADRA2AADRA2B
SCHEMBL2406888 0.73 PDK1 (0.46) ALDH1A1KDM4EPOLBPDE10ACASP1
SCHEMBL16835813 0.73 ALOX5AP (0.38) ALDH1A1KDM4EPOLBPDE10AADRA2A
SCHEMBL16685761 0.72 FYN (0.42) ALDH1A1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951400-B2 Chemistry used in biosensors OHMX CORPORATION (US) 2015-02-10 US disclosed
WO-2012012537-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2012-01-26 WO disclosed
US-20120012472-A1 NOVEL CHEMISTRY USED IN BIOSENSORS OHMX CORPORATION (US) 2012-01-19 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-20120012472-A1 NOVEL CHEMISTRY USED IN BIOSENSORS SSBP1, OSGEP, OCIAD2 ALDH1A1 3098/4885KDM4E 4331/4885POLB 118/4885

“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.