SCHEMBL952216

SCHEMBL952216

CCOc1nc(-c2ccnc(NC(=O)Cc3cccs3)c2)sc1-c1nnc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 11/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
STAT3 P40763 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41

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
SCHEMBL953340 0.87 MAPK14 (0.49) RAB9AMEN1KMT2A
SCHEMBL954075 0.86 MAPK14 (0.45) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL957459 0.85 GSK3B (0.41) POLBSMN1; SMN2NPC1RAB9ABUB1
SCHEMBL953912 0.85 MAPK14 (0.42)
SCHEMBL958342 0.85 GSK3B (0.42)
SCHEMBL954690 0.84 RXFP1 (0.42) POLBSMN1; SMN2MAPTALDH1A1HSD17B10
SCHEMBL16937959 0.84 GSK3B (0.39)
SCHEMBL953538 0.84 MAPK14 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL957408 0.83 MAPK8 (0.46) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL954376 0.83 MAPK14 (0.42) SMN1; SMN2MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 POLB 4355/4885SMN1; SMN2 3758/4885ESR1 1737/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 POLB 2653/4885SMN1; SMN2 3959/4885ESR1 454/4885

“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.