SCHEMBL2779967

SCHEMBL2779967

NC(=S)Nc1nccc(-c2cccs2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
ALDH1A1 P00352 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 2/20 0.65
GAA P10253 2/20 0.65
RAB9A P51151 2/20 0.65
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
KDM4E B2RXH2 9/20 0.58
GSK3B P49841 2/20 0.53
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
CDK9 P50750 1/20 0.53
CDK5 Q00535 1/20 0.53
DYRK1A Q13627 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 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
SCHEMBL2779528 0.78 MEN1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8255815 0.75 MAPK8 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5458121 0.75 NPC1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7471621 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL2345970 0.73 ALDH1A1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL623986 0.73 ALDH1A1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7470896 0.72 JAK2 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7475248 0.71 PLK1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL2779531 0.71 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7475231 0.70 SYK (0.66) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E MEN1 4300/4885KMT2A 4384/4885ALDH1A1 1066/4885

“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.