SCHEMBL3604852

SCHEMBL3604852

CC(=O)Nc1cccc(-c2cnc(NC(=N)N)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
KDR P35968 4/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
GSTO1 P78417 1/20 0.46
CDK2 P24941 2/20 0.46
CDK5 Q00535 2/20 0.46
DYRK3 O43781 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK9 P50750 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
DYRK2 Q92630 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
CHEK2 O96017 1/20 0.46
FFAR2 O15552 1/20 0.46

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
SCHEMBL6183208 0.78 NPC1 (0.66) NQO2KDRNPC1RAB9ASMN1; SMN2
SCHEMBL5840422 0.78 KDR (0.72) NQO2KDRSMN1; SMN2GSTO1CDK2
SCHEMBL3612694 0.76 MAPT (0.67) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL27565410 0.75 NQO2 (0.72) NQO2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11372785 0.74 KDR (0.38) KDRGSTO1CDK2CDK5FFAR2
SCHEMBL2256136 0.72 KDR (0.72) KDRGSTO1CDK2CDK5FFAR2
SCHEMBL6288099 0.71 CNR1 (0.66) KDRNPC1RAB9ASMN1; SMN2GSTO1
SCHEMBL18797672 0.70 NQO2 (0.61) NQO2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6609988 0.70 IKBKB (0.65) NQO2KDM4EMAPTMEN1ALDH1A1
SCHEMBL10052252 0.70 IKBKB (0.65) NQO2CHEK2MAPTGAAMEN1

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
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US 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
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 NQO2 1806/4885KDR 4833/4885NPC1 267/4885

“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.