SCHEMBL3570233

SCHEMBL3570233

OC1CCN(c2ccc3c(C4CCNCC4)ncnc3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
ABL1 P00519 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PRKDC P78527 8/20 0.37
NTSR1 P30989 3/20 0.36
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
RAD52 P43351 1/20 0.35
SUV39H1 O43463 1/20 0.35
PRMT1 Q99873 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MAPK7 Q13164 1/20 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
SCHEMBL3570227 1.00 AR (0.39) ARCDK1CDK2ABL1LOXL2
SCHEMBL5604298 0.86 PRKDC (0.42) PRKDC
SCHEMBL5604831 0.84 PRKDC (0.50) PRKDC
SCHEMBL5604488 0.84 PRKDC (0.47) PRKDC
SCHEMBL3566779 0.84 FGFR2 (0.47) PRKDCNTSR1AXLMERTKMAPK7
SCHEMBL5077965 0.84 MAPK7 (0.43) ABL1LOXL2PRKDCNTSR1MAPK7
SCHEMBL4965374 0.84 MAPK7 (0.43) ABL1LOXL2PRKDCNTSR1MAPK7
SCHEMBL4966472 0.84 MAPK7 (0.43) ABL1LOXL2PRKDCNTSR1MAPK7
SCHEMBL3566776 0.84 FGFR2 (0.47) PRKDCNTSR1AXLMERTKMAPK7
SCHEMBL3572685 0.81 MEN1 (0.46) PRKDCMAPK7

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-7825244-B2 Intermediates useful in the synthesis of alkylquinoline and alkylquinazoline kinase modulators, and related methods of synthesis JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
EP-1891040-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
WO-2006135646-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT AR 2708/4885CDK1 81/4885CDK2 86/4885

“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.