SCHEMBL1356804

SCHEMBL1356804

Nc1ccc(N)c(-c2ncc3cnn(-c4ccccc4-c4ccccc4)c3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GFER P55789 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL3583981 0.84 ALDH1A1 (0.41) NPC1RAB9AIRAK4PIK3CAMTOR
SCHEMBL3581992 0.78 RAB9A (0.45) NPC1RAB9AIRAK4PIK3CAMTOR
SCHEMBL3587629 0.75 CYP19A1 (0.37)
SCHEMBL1355247 0.73 GSK3B (0.46) NPC1RAB9APIK3CAALDH1A1MEN1
SCHEMBL1353450 0.73 XDH (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1355225 0.68 AURKA (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3581065 0.67 PIK3CD (0.36)
SCHEMBL1353745 0.66 AURKA (0.53)
SCHEMBL29460321 0.66 ALDH1A1 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL140192 0.66 ALDH1A1 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A

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-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 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 (2 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 DHFR 1141/4885NPC1 2447/4885RAB9A 2076/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 DHFR 1141/4885NPC1 2447/4885RAB9A 2076/4885

“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.