SCHEMBL3576361

SCHEMBL3576361

CC1(C)OB(c2cccc(-c3nnc(N)s3)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 8/20 0.51
MGAM O43451 3/20 0.49
GAA P10253 3/20 0.49
SI P14410 3/20 0.49
MGAM2 Q2M2H8 3/20 0.49
PKM P14618 1/20 0.49
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL12516279 0.85 LIPG (0.43) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL806784 0.77 LIPG (0.60) LPLLIPG
SCHEMBL15917220 0.76 KDM4E (0.49) ALDH1A1KDM4EMGAMGAASI
SCHEMBL2220822 0.76 LIPG (0.42) SMN1; SMN2LPLLIPGNPC1RAB9A
SCHEMBL22290442 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL31456342 0.76 LIPG (0.58) LPLLIPG
SCHEMBL20023287 0.76 LIPG (0.58) LPLLIPG
SCHEMBL31456345 0.76 LIPG (0.58) LPLLIPG
SCHEMBL15495620 0.74 LIPG (0.56) LPLLIPG
SCHEMBL13274897 0.74 LIPG (0.47) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed
US-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2121687-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2009-11-25 EP disclosed
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO 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-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB ALDH1A1 379/4885MEN1 1410/4885KMT2A 2609/4885

“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.