SCHEMBL13639132

SCHEMBL13639132

O=C1NC(=S)N/C1=C1/CCNC(=O)c2[nH]ccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.74
PRKCG P05129 3/20 0.74
PRKCB P05771 3/20 0.74
PRKCA P17252 3/20 0.74
PRKCH P24723 3/20 0.74
PRKCI P41743 3/20 0.74
PRKCE Q02156 3/20 0.74
PRKCQ Q04759 3/20 0.74
PRKCZ Q05513 3/20 0.74
PRKCD Q05655 3/20 0.74
PRKD1 Q15139 3/20 0.74
USP7 Q93009 1/20 0.74
USP21 Q9UK80 1/20 0.74
MAP2K1 Q02750 4/20 0.54
CHEK2 O96017 8/20 0.53
CDK5 Q00535 6/20 0.53
CDK5R1 Q15078 6/20 0.53
CHEK1 O14757 4/20 0.53
CCNB2 O95067 4/20 0.53
CDK1 P06493 4/20 0.53

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
SCHEMBL13222150 1.00 PRKD3 (0.74) PRKD3PRKCGPRKCBPRKCAPRKCH
Spongiacidin C SCHEMBL22480163 0.85 PRKD3 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL13222116 0.74 MAP2K1 (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH
Debromohymenialdisine SCHEMBL3577997 0.74 CDK5 (0.70) PRKD3PRKCGPRKCBPRKCAPRKCH
Debromohymenialdisine SCHEMBL4303192 0.74 CDK5 (0.70) PRKD3PRKCGPRKCBPRKCAPRKCH
Debromohymenialdisine SCHEMBL3578000 0.74 CDK5 (0.70) PRKD3PRKCGPRKCBPRKCAPRKCH
Aldisin SCHEMBL7844916 0.71 MAP2K1 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
Debromohymenialdisine SCHEMBL29358509 0.69 CDK5 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
Debromohymenialdisine SCHEMBL30092237 0.69 CDK5 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL13222124 0.69 PRKD3 (0.36) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304408-B2 Wnt signaling inhibitors, and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-06 US disclosed
US-8304408-B2 Wnt signaling inhibitors, and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-06 US disclosed
US-20100203113-A1 WNT SIGNALLING INHIBITORS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-12 US disclosed
US-20100203113-A1 WNT SIGNALLING INHIBITORS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-12 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 (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-20100203113-A1 WNT SIGNALLING INHIBITORS, AND METHODS FOR MAKING AND USING THEM WNT1, DACH1, WNT3A PRKD3 913/4885PRKCG 1043/4885PRKCB 1118/4885

“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.