Sugi Predict

Sugi Predict / Compounds / SCHEMBL3425286

SCHEMBL3425286

SCHEMBL3425286

O=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.69
▸ CDK5R1 Q15078 5/20 0.69
▸ PTPN1 P18031 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 1/20 0.39
▸ TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL3425283 1.00 CDK5 (0.69) CDK5CDK5R1PTPN1MAPTALDH1A1
SCHEMBL13341112 1.00 CDK5 (0.69) CDK5CDK5R1PTPN1MAPTALDH1A1
SCHEMBL3426489 0.89 CDK5 (0.86) CDK5CDK5R1MAPTALDH1A1HPGD
SCHEMBL3426485 0.89 CDK5 (0.86) CDK5CDK5R1MAPTALDH1A1HPGD
SCHEMBL13341173 0.89 CDK5 (0.86) CDK5CDK5R1MAPTALDH1A1HPGD
SCHEMBL3429392 0.89 CDK5 (0.71) CDK5CDK5R1PTPN1MAPTALDH1A1
SCHEMBL3429396 0.89 CDK5 (0.71) CDK5CDK5R1PTPN1MAPTALDH1A1
SCHEMBL13341111 0.89 CDK5 (0.71) CDK5CDK5R1PTPN1MAPTALDH1A1
SCHEMBL3424619 0.88 CDK5 (0.75) CDK5CDK5R1PTPN1MAPTALDH1A1
SCHEMBL3428235 0.88 CDK5 (0.68) CDK5CDK5R1PTPN1MAPTALDH1A1

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 38/4885PTPN1 354/4885
US-20090137555-A1 Compounds and Compositions as Protein Kinase Inhibitors CDK1, CDK3, CDK2 CDK5 14/4885CDK5R1 37/4885PTPN1 426/4885

“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.