SCHEMBL5604488

SCHEMBL5604488

c1nc(C2CCNCC2)c2ccc(N3CCC3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 17/20 0.47
IP6K1 Q92551 1/20 0.43
MAP4K4 O95819 1/20 0.42
TERT O14746 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
SCHEMBL5604831 0.97 PRKDC (0.50) PRKDCIP6K1MAP4K4TERT
SCHEMBL5604298 0.94 PRKDC (0.42) PRKDCIP6K1
SCHEMBL3558524 0.92 NTRK1 (0.43) PRKDCIP6K1
SCHEMBL3562397 0.89 PRKDC (0.56) PRKDC
SCHEMBL3572685 0.89 MEN1 (0.46) PRKDC
SCHEMBL27739405 0.88 ADRB2 (0.44) PRKDC
SCHEMBL3557702 0.86 FGFR2 (0.44) PRKDC
SCHEMBL4966092 0.85 KHK (0.41) PRKDC
SCHEMBL3570233 0.84 AR (0.39) PRKDC
SCHEMBL3570227 0.84 AR (0.39) PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 PRKDC 21/4885IP6K1 1705/4885MAP4K4 285/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG PRKDC 8/4885IP6K1 1295/4885MAP4K4 570/4885

“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.