SCHEMBL3426073

SCHEMBL3426073

O=C1NCCC(=NNc2ccncc2)c2c1[nH]c1ccc(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.62
CDK5R1 Q15078 6/20 0.62
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CSF1R P07333 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37

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
SCHEMBL13341123 1.00 CDK5 (0.62) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL3426070 1.00 CDK5 (0.62) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL3427181 0.88 CDK5 (0.79) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL3427178 0.88 CDK5 (0.79) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL13341134 0.88 CDK5 (0.79) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL3424369 0.86 CDK5 (0.66) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL3424365 0.86 CDK5 (0.66) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL13341182 0.86 CDK5 (0.66) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL7965739 0.86 CDK5 (0.61) CDK5CDK5R1MAPTMEN1KMT2A
SCHEMBL3426106 0.85 CDK5 (0.55) CDK5CDK5R1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 US claimed
WO-2004098520-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-11-18 WO claimed
US-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US disclosed
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-28 US disclosed
US-7423031-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-09-09 US disclosed
US-20050153955-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-14 US disclosed
WO-2004098520-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-11-18 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 (2 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-20050153955-A1 Compounds and compositions as protein kinase inhibitors CDK1, CDK3, CDK11A CDK5 16/4885CDK5R1 38/4885MAPT 1666/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 CDK5 14/4885CDK5R1 37/4885MAPT 1424/4885

“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.