SCHEMBL5447206

SCHEMBL5447206

Nc1nc2ccc(C=Cc3cnc(Nc4ccc(S(=O)(=O)N5CCC(N)CC5)cc4)nc3)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 2/20 0.48
VDR P11473 1/20 0.48
GFER P55789 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
NAMPT P43490 2/20 0.42
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.40
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
FLT3 P36888 4/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
IKBKB O14920 4/20 0.37

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
SCHEMBL5447205 1.00 ALDH1A1 (0.48) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL14490154 0.92 SYK (0.49) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL5438187 0.92 ALDH1A1 (0.46) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL5438195 0.92 ALDH1A1 (0.46) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL14490150 0.89 ALDH1A1 (0.48) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL5438765 0.88 ALDH1A1 (0.43) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL5438761 0.88 ALDH1A1 (0.43) ALDH1A1HPGDMAPTVDRGFER
Hydrochloric Acid SCHEMBL5437586 0.88 ALDH1A1 (0.48) ALDH1A1HPGDMAPTVDRGFER
Hydrochloric Acid SCHEMBL5437574 0.88 ALDH1A1 (0.48) ALDH1A1HPGDMAPTVDRGFER
Trifluoroacetic Acid SCHEMBL5447005 0.87 SYK (0.46) ALDH1A1HPGDMAPTVDRGFER

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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR ALDH1A1 3322/4885HPGD 2433/4885MAPT 3282/4885

“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.