SCHEMBL5235503

SCHEMBL5235503

Cc1nn(-c2ccccn2)c(C)c1C1SCCCS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 1/20 0.43
CCNA2 P20248 9/20 0.43
CDK2 P24941 9/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 6/20 0.41
GAA P10253 4/20 0.41
CCNO P22674 1/20 0.40
CCNE1 P24864 1/20 0.40
CCNA1 P78396 1/20 0.40
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL18949733 0.72 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL7506607 0.69 SMN1; SMN2 (0.59) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL16019533 0.67 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL3683672 0.67 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL19422723 0.67 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL10971119 0.66 GFER (0.41) ALDH1A1HPGDHSD17B10ALOX15MAPT
SCHEMBL122881 0.66 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL123248 0.66 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL3462043 0.65 KDM4E (0.63) ALDH1A1HPGDHSD17B10ALOX15CCNA2
SCHEMBL3460182 0.65 MAPT (0.49) ALDH1A1HPGDHSD17B10ALOX15CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100358900-C Novel compounds ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
EP-1587809-B1 THIENOPYRIDAZINONE DERIVATIVE AS MODULATORS OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2007-10-10 EP disclosed
US-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB, A SWEDEN CORPORATION 2006-10-05 US disclosed
US-7064126-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
CN-1761670-A Novel compounds ASTRAZENECA AB (SE) 2006-04-19 CN disclosed
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB (SE) 2006-03-09 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-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ALDH1A1 1279/4885HPGD 335/4885HSD17B10 1782/4885
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ALDH1A1 1279/4885HPGD 335/4885HSD17B10 1782/4885

“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.