SCHEMBL3587611

SCHEMBL3587611

Cc1csc(SCc2cc(=O)[nH]c(=O)[nH]2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17141938 0.71 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL14426633 0.70 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1RAB9AKDM4EPOLB
SCHEMBL1540171 0.70 RAB9A (0.50) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL8054102 0.69 RAB9A (0.51) SMN1; SMN2ALDH1A1LMNARAB9AGPR84
SCHEMBL15948524 0.67
SCHEMBL14426638 0.66 ALDH1A1 (0.71) ALDH1A1RAB9AGAAGPR84MAPT
SCHEMBL11116642 0.66
SCHEMBL20819988 0.65 ALKBH3 (0.57) SMN1; SMN2LMNARAB9AKDM4EPOLB
SCHEMBL15331825 0.65 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNARAB9AKDM4E
SCHEMBL3607183 0.65 RAB9A (0.47) SMN1; SMN2ALDH1A1RAB9AHTTGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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 (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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 SMN1; SMN2 2003/4885ALDH1A1 2861/4885LMNA 2667/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR SMN1; SMN2 2807/4885ALDH1A1 3243/4885LMNA 4614/4885

“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.