SCHEMBL13633763

SCHEMBL13633763

Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.65
CDK5R1 Q15078 7/20 0.65
NPC1 O15118 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
CCNA2 P20248 9/20 0.63
CDK2 P24941 9/20 0.63
MAPT P10636 4/20 0.63
GSK3A P49840 2/20 0.63
GSK3B P49841 2/20 0.63
RAB9A P51151 1/20 0.63
MAPK14 Q16539 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.59
TP53 P04637 1/20 0.59

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
SCHEMBL4398263 0.94 CDK5 (0.72) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL20142073 0.89 CCNA2 (0.68) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL4395265 0.88 GSK3A (0.73) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL20142403 0.88 CCNA2 (0.78) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL20142148 0.88 GSK3A (0.73) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL20142846 0.88 CCNA2 (0.78) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL20142259 0.88 GSK3A (0.73) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL20142192 0.88 CCNA2 (0.78) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL7757586 0.88 CCNA2 (0.82) CDK5CDK5R1NPC1MEN1KMT2A
SCHEMBL25609810 0.88 CCNA2 (0.82) CDK5CDK5R1NPC1MEN1KMT2A

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
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A CDK5 1039/4885CDK5R1 1256/4885NPC1 2068/4885

“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.