SCHEMBL3424360

SCHEMBL3424360

O=C1NCCC(=NNc2ccc(C(F)(F)F)cn2)c2c1[nH]c1ccc(Cl)cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.73
CDK5R1 Q15078 9/20 0.73
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.35
CYP2C9 P11712 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL3424357 1.00 CDK5 (0.73) CDK5CDK5R1LMNAMEN1MAPT
SCHEMBL13341185 1.00 CDK5 (0.73) CDK5CDK5R1LMNAMEN1MAPT
SCHEMBL13341183 0.90 CDK5 (0.77) CDK5CDK5R1LMNANPC1RAB9A
SCHEMBL3426040 0.90 CDK5 (0.77) CDK5CDK5R1LMNANPC1RAB9A
SCHEMBL3426044 0.90 CDK5 (0.77) CDK5CDK5R1LMNANPC1RAB9A
SCHEMBL3426489 0.90 CDK5 (0.86) CDK5CDK5R1LMNAMEN1MAPT
SCHEMBL13341173 0.90 CDK5 (0.86) CDK5CDK5R1LMNAMEN1MAPT
SCHEMBL3426485 0.90 CDK5 (0.86) CDK5CDK5R1LMNAMEN1MAPT
SCHEMBL3426086 0.85 CDK5 (1.00) CDK5CDK5R1LMNAMEN1MAPT
SCHEMBL3426089 0.85 CDK5 (1.00) CDK5CDK5R1LMNAMEN1MAPT

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
US-7713958-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-05-11 US claimed
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-28 US claimed
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

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 38/4885LMNA 1252/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 CDK5 14/4885CDK5R1 37/4885LMNA 1085/4885

“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.