SCHEMBL5604689

SCHEMBL5604689

CN(C)c1ccc2c(C3CCNCC3)ncnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP2D6 P10635 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 1/20 0.42
EGFR P00533 3/20 0.40
KIT P10721 1/20 0.38
HSD17B10 Q99714 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
USP2 O75604 1/20 0.38
CSF1R P07333 4/20 0.37
CHRM4 P08173 1/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL21332116 0.82 MAPK7 (0.47) EGFRKITCHRM4
SCHEMBL3570966 0.79 NPC1 (0.47) CYP1A2CYP2D6EGFRKITMAPK1
SCHEMBL21332328 0.79 HSP90AB1 (0.41) EGFRKITCHRM4
SCHEMBL3570195 0.78 MAPK7 (0.53) CYP1A2CYP3A4KDM4ECYP2C19EGFR
SCHEMBL4967221 0.78 MAPK7 (0.48) CSF1R
SCHEMBL27732136 0.75 MAPK7 (0.36) CYP1A2KDM4EHPGDKITHSD17B10
SCHEMBL4962813 0.75 MEN1 (0.43) CYP1A2CYP2D6CYP2C19KITLMNA
SCHEMBL30735510 0.75 MEN1 (0.43) CYP1A2CYP2D6CYP2C19KITLMNA
SCHEMBL5604298 0.75 PRKDC (0.42) KIT
SCHEMBL3566776 0.74 FGFR2 (0.47) KITPDE10A

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 CYP1A2 3166/4885CYP3A4 3667/4885KDM4E 924/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG CYP1A2 1701/4885CYP3A4 1975/4885KDM4E 2696/4885

“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.