SCHEMBL12049293

SCHEMBL12049293

O=C(Nc1ccc(N2CCOCC2)cc1)N1CCC(c2ncnc3cc(N4CCNCC4)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.45
MAPK7 Q13164 1/20 0.43
FLT3 P36888 3/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
CDK2 P24941 1/20 0.41
CDK6 Q00534 1/20 0.41
PDGFRB P09619 1/20 0.41
HPGDS O60760 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
SCHEMBL12049300 0.95 PRKDC (0.49) PRKDCMAPK7FLT3ALDH1A1USP2
SCHEMBL12060706 0.92 PRKDC (0.53) PRKDCMAPK7ALDH1A1USP2
SCHEMBL12049383 0.92 PRKDC (0.53) PRKDCMAPK7ALDH1A1USP2
SCHEMBL12049436 0.91 PRKDC (0.46) PRKDCMAPK7FLT3ALDH1A1USP2
SCHEMBL12049284 0.90 PRKDC (0.45) PRKDCMAPK7FLT3MAPTPDGFRB
SCHEMBL12049294 0.89 NAMPT (0.46) PRKDCMAPK7FLT3MAPTPDGFRB
SCHEMBL12049437 0.88 PRKDC (0.41) PRKDCMAPK7FLT3ALDH1A1USP2
SCHEMBL12049275 0.88 PRKDC (0.46) PRKDCMAPK7FLT3ALDH1A1USP2
SCHEMBL12049273 0.88 PRKDC (0.46) PRKDCMAPK7FLT3ALDH1A1USP2
SCHEMBL12049650 0.88 SMN1; SMN2 (0.49) PRKDCMAPK7MAPTPDGFRB

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-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
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-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 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 (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-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG PRKDC 8/4885MAPK7 957/4885FLT3 1/4885

“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.