SCHEMBL3584581

SCHEMBL3584581

NC(=S)NNc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
ALDH1A1 P00352 4/20 0.64
GAA P10253 4/20 0.64
IDO1 P14902 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 2/20 0.49
ALOX12 P18054 2/20 0.49
HPGD P15428 1/20 0.49
CTSL P07711 3/20 0.44
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL22091065 0.81 GAA (0.49) ALDH1A1GAAIDO1SMN1; SMN2KMT2A
SCHEMBL1621739 0.81 IDO1 (0.68) MAPTALDH1A1GAAIDO1SMN1; SMN2
SCHEMBL11445832 0.81 KMT2A (0.69) MAPTALDH1A1GAAKMT2AGLA
SCHEMBL9690067 0.78 GAA (1.00) MAPTALDH1A1GAAIDO1KMT2A
SCHEMBL790339 0.77 MEN1 (0.52) ALDH1A1GAAIDO1KMT2AMEN1
SCHEMBL20984278 0.77 GAA (0.61) MAPTALDH1A1GAAIDO1SMN1; SMN2
SCHEMBL28049803 0.76 CA2 (0.56) MAPTALDH1A1GAAIDO1SMN1; SMN2
SCHEMBL163118 0.76 ALDH1A1 (0.61) MAPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL18707358 0.76 GAA (0.50) MAPTALDH1A1GAAIDO1SMN1; SMN2
SCHEMBL28032785 0.74 CYP3A4 (0.60) ALDH1A1GAAIDO1SMN1; SMN2KMT2A

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 7 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
CN-101679409-B Bicyclic heterocyclic derivative compounds, pharmaceutical compositions thereof and uses thereof ASTEX THERAPEUTICS LTD 2014-11-26 CN 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
CN-101679409-A Novel compounds ASTEX THERAPEUTICS LTD 2010-03-24 CN 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 MAPT 3238/4885ALDH1A1 379/4885GAA 873/4885

“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.