SCHEMBL3609977

SCHEMBL3609977

CCc1sc(NC(=N)N)nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HSD17B10 Q99714 3/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 4/20 0.60
RORC P51449 2/20 0.54
GAA P10253 3/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CDC25B P30305 2/20 0.46
DUSP3 P51452 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3606784 0.86 ALDH1A1 (0.49) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL14960379 0.82 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL3598191 0.81 ALOX5 (0.63) ALDH1A1HSD17B10HPGDMAPTRORC
SCHEMBL9892859 0.81 ALDH1A1 (0.81) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL3599172 0.80 KMO (0.52) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL4538756 0.79 ALDH1A1 (0.49) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL9891524 0.78 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL9891918 0.78 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDTSHRMAPT
SCHEMBL7146818 0.76 ADORA3 (0.56) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
Bromide SCHEMBL7142168 0.75 MEN1 (0.75) ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885HSD17B10 2280/4885HPGD 1775/4885

“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.