SCHEMBL5832407

SCHEMBL5832407

CN1C2CCC1CN(c1ccc(Nc3ccccn3)nc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.39
CDK4 P11802 3/20 0.39
CDK6 Q00534 3/20 0.39
EGFR P00533 3/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
HSF1 Q00613 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
SCHEMBL5832899 0.95 CDK4 (0.42) CDK4CDK6EGFR
SCHEMBL5832102 0.87 CCNK (0.47) CDK6EGFR
SCHEMBL5832235 0.83 CHRNB4 (0.43) CDK4CDK6
SCHEMBL5832698 0.83 CHRNB4 (0.40) CDK4CDK6EGFR
SCHEMBL5832383 0.82 CDK6 (0.46) CDK4CDK6EGFR
SCHEMBL5832959 0.79 DEGS1 (0.45)
SCHEMBL5832667 0.79 CDK4 (0.44) CDK4CDK6
SCHEMBL5832799 0.79 CDK4 (0.42) CDK4CDK6
SCHEMBL5832936 0.79 CHRNB2 (0.40)
SCHEMBL5832425 0.79 KDM4E (0.40)

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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US claimed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP claimed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO claimed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 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 (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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 BPTF 3009/4885CDK4 1316/4885CDK6 928/4885

“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.