SCHEMBL405843

SCHEMBL405843

Ic1cc(-n2cccn2)nc(-n2cccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
ADORA2A P29274 5/20 0.42
ADORA1 P30542 3/20 0.42
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
NOTUM Q6P988 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
GRM5 P41594 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL2462672 0.79 KDM4E (0.59) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL10027698 0.79 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL199306 0.76 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL12532330 0.74 KDM4E (1.00) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL28812535 0.74 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL31519065 0.74 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL31435409 0.73 LMNA (0.59) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL28187273 0.71 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL4191891 0.71 LMNA (0.57) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL9521570 0.70 SMN1; SMN2 (0.67) ALDH1A1KDM4ELMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020886-A1 THERMAL SPIN CROSS-OVER COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF HYDERABAD (IN) 2012-01-26 US disclosed
US-20120020886-A1 THERMAL SPIN CROSS-OVER COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF HYDERABAD (IN) 2012-01-26 US disclosed
US-20120020886-A1 THERMAL SPIN CROSS-OVER COMPOUNDS AND METHODS OF USING SAME UNIVERSITY OF HYDERABAD (IN) 2012-01-26 US disclosed
EP-2053049-A1 Preparation of 2' , 6' -di-pyrazolyl-pyridine containing a reactive group R in 4' position Forschungszentrum Karlsruhe GmbH (DE) 2009-04-29 EP 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-20120020886-A1 THERMAL SPIN CROSS-OVER COMPOUNDS AND METHODS OF USING SAME SLC10A1, SLC10A2, SPIN2B ALDH1A1 1214/4885KDM4E 4782/4885LMNA 1281/4885

“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.