SCHEMBL4964417

SCHEMBL4964417

O=C(O)N1CCC(c2ccnc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.47
TDO2 P48775 9/20 0.47
CAMKK1 Q8N5S9 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK7 Q13164 1/20 0.43
FAAH O00519 1/20 0.42
HSD11B1 P28845 1/20 0.42
RBP4 P02753 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL21138051 0.88 KDM4E (0.55) IDO1TDO2NPC1TP53MAPT
SCHEMBL21061072 0.82 IDO1 (0.50) IDO1TDO2CAMKK1CAMKK2NPC1
SCHEMBL21061197 0.82 IDO1 (0.64) IDO1TDO2CYP2C8CYP2C9
SCHEMBL30333713 0.81 IDO1 (0.42) IDO1TDO2CAMKK1CAMKK2NPC1
SCHEMBL19297248 0.81 GPR119 (0.53) MAPTMAPK7KDM4E
SCHEMBL21146060 0.80 CAMKK1 (0.48) IDO1CAMKK1CAMKK2NPC1TP53
SCHEMBL28431268 0.80 CAMKK1 (0.48) IDO1CAMKK1CAMKK2NPC1TP53
SCHEMBL21289832 0.80 CAMKK1 (0.48) IDO1CAMKK1CAMKK2NPC1TP53
SCHEMBL22424992 0.80 CAMKK1 (0.48) IDO1CAMKK1CAMKK2NPC1TP53
SCHEMBL29392938 0.80 MAPT (0.54) CAMKK1CAMKK2NPC1TP53MAPT

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 7 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
EP-1893214-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135629-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO 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 IDO1 2018/4885TDO2 3104/4885CAMKK1 209/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG IDO1 2920/4885TDO2 4656/4885CAMKK1 826/4885

“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.