SCHEMBL4385860

SCHEMBL4385860

N#CC(C#N)=C1Nc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.42
TSHR P16473 2/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 4/20 0.36
NOX1 Q9Y5S8 2/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 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
SCHEMBL27554586 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27527884 0.79 EGFR (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27532927 0.76 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27527852 0.76 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL77797 0.73 MAPT (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL76412 0.71 GAA (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL17948246 0.71 IDO1 (0.46) ALDH1A1MAPTTDP1GAACYP1A2
Water SCHEMBL3526962 0.69
SCHEMBL24186610 0.69 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11619855 0.67 ALOX5 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 ALDH1A1 395/4885MAPT 4474/4885MEN1 3396/4885

“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.