SCHEMBL5440540

SCHEMBL5440540

Nc1ncc(C=Cc2ccc3nc(N)sc3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
AXL P30530 1/20 0.49
GFER P55789 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PI4KA P42356 6/20 0.47

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
SCHEMBL5440532 1.00 RAB9A (0.49) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL13539413 0.80 RAB9A (0.68) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL27522839 0.77 RAB9A (0.62) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL1855355 0.77 CYP3A4 (0.70) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL1855358 0.77 CYP3A4 (0.70) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL13236087 0.77 INSR (0.64) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL2275595 0.76 RAB9A (0.56) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL14538310 0.75 PIK3CA (0.40) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL13699058 0.73 CYP3A4 (0.53) RAB9ACYP3A4ALDH1A1HSD17B10NPC1
SCHEMBL334946 0.69 RAB9A (0.66) RAB9ACYP3A4ALDH1A1HSD17B10NPC1

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 RAB9A 1849/4885CYP3A4 1786/4885ALDH1A1 3322/4885

“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.