SCHEMBL4780406

SCHEMBL4780406

O=C(O)[C@@H]1NCC[C@@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.47
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL5203561 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1MEN1BLM
SCHEMBL199463 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1MEN1BLM
SCHEMBL199462 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1MEN1BLM
SCHEMBL350996 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1MEN1BLM
SCHEMBL199461 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1MEN1BLM
Hydrochloric Acid SCHEMBL2297672 0.98 SLC1A2 (0.46) SLC1A2AKR1C3AKR1C1MEN1BLM
Hydrochloric Acid SCHEMBL2297675 0.98 SLC1A2 (0.46) SLC1A2AKR1C3AKR1C1MEN1BLM
SCHEMBL851578 0.89 MEN1 (0.50) SLC1A2MEN1BLMKMT2A
SCHEMBL16056887 0.89 MEN1 (0.50) SLC1A2MEN1BLMKMT2A
SCHEMBL4074609 0.89 MEN1 (0.50) SLC1A2MEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462713-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY AGOURON PHARMACEUTICALS, INC. 2007-06-14 US disclosed
US-7132533-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
US-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2006-01-05 US disclosed
US-6967198-B2 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS INC. (US) 2005-11-22 US disclosed
EP-1585749-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2005-10-19 EP disclosed
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
WO-2004063198-A1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER INC. (US) 2004-07-29 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 (3 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-20060004052-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK1, CHEK2, CHKA SLC1A2 4797/4885AKR1C3 1639/4885AKR1C1 1933/4885
US-20050075499-A1 Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy CHEK2, CHEK1, CHKA SLC1A2 4781/4885AKR1C3 1969/4885AKR1C1 2107/4885
US-20070135415-A1 TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY CHEK1, CHEK2, CHKA SLC1A2 4793/4885AKR1C3 1491/4885AKR1C1 1679/4885

“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.