SCHEMBL6493490

SCHEMBL6493490

O=c1cc(-c2ccccc2)nc2n1CCCN2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 5/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPK10 P53779 1/20 0.50
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CGAS Q8N884 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
RAD51 Q06609 1/20 0.42
RPS6KA3 P51812 2/20 0.41
PDE4B Q07343 1/20 0.40
RPS6KA2 Q15349 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
SCHEMBL3998985 0.89 CDC7 (0.46) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL2931108 0.84 KDM4E (0.49) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL3041953 0.83 KDM4E (0.49) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL4487254 0.81 KDM4E (0.41) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL4000370 0.79 CDC7 (0.51) ALDH1A1KDM4EHPGDHSD17B10KDM5B
SCHEMBL20304594 0.77 KDM4E (0.38) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL3568709 0.77 GSK3B (0.48) ALDH1A1KDM4EPOLBRPS6KA2
SCHEMBL3325823 0.75 KDM4E (0.47) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL3048039 0.74 PARP1 (0.51) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL4485144 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT ALDH1A1 2475/4885KDM4E 3977/4885POLB 2525/4885

“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.