SCHEMBL3519650

SCHEMBL3519650

CC(CCN)NCCCNc1c2nc3ccccc3c-2n(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.40
SLC2A1 P11166 9/20 0.39
POLB P06746 2/20 0.36
RAD52 P43351 2/20 0.36
NPC1 O15118 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ACHE P22303 3/20 0.35

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
SCHEMBL3292083 0.79 RAD52 (0.47) CACNA2D1SLC2A1POLBRAD52NPC1
SCHEMBL3290733 0.74 POLB (0.51) SLC2A1POLBRAD52NPC1APOBEC3A
SCHEMBL3298450 0.73 KAT2B (0.44) CACNA2D1SLC2A1POLBRAD52NPC1
SCHEMBL3427601 0.70 EGFR (0.43) SLC2A1
SCHEMBL3427605 0.70 EGFR (0.43) SLC2A1
SCHEMBL5811815 0.69 TERT (0.40)
SCHEMBL3291426 0.66 BRD4 (0.46) NPC1RAB9AKMT2AHRH3ACHE
SCHEMBL8480481 0.65 TERT (0.51) POLBRAD52NPC1RAB9AKMT2A
Biscryptolepine SCHEMBL30192568 0.65 TERT (0.54) POLBNPC1RAB9AKMT2A
Iodide SCHEMBL8482236 0.64 TERT (0.50) POLBRAD52NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331355-A1 Substituted Quinolines for the Treatment of Cancer CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-12-30 US disclosed
US-20070105784-A1 Substituted quinolines for the treatment of cancer CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2007-05-10 US disclosed
EP-1687304-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER Crystax Pharmaceuticals S.L. (ES) 2006-08-09 EP disclosed
WO-2005054236-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS S.L. (ES) 2005-06-16 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-20070105784-A1 Substituted quinolines for the treatment of cancer TOP2B, NQO2, SNRPD2 CACNA2D1 2429/4885SLC2A1 1392/4885POLB 599/4885
US-20100331355-A1 Substituted Quinolines for the Treatment of Cancer TOP2B, TOP1, TOP2A CACNA2D1 2362/4885SLC2A1 1045/4885POLB 607/4885

“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.