SCHEMBL12048864

SCHEMBL12048864

CC(C)c1ccc(NC(=O)N2CCC(c3ccnc4ccccc34)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
IDO1 P14902 5/20 0.55
PANK3 Q9H999 2/20 0.54
TDO2 P48775 3/20 0.52
FAAH O00519 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
PDGFRB P09619 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL12048865 0.87 PDGFRB (0.52) ALDH1A1LMNAMAPTMAPK1IDO1
SCHEMBL12048875 0.84 MAPT (0.61) ALDH1A1LMNAMAPTMAPK1IDO1
SCHEMBL21137993 0.78 IDO1 (0.81) IDO1TDO2CYP2C8CYP2C9
SCHEMBL21138051 0.78 KDM4E (0.55) ALDH1A1MAPTIDO1TDO2NPC1
SCHEMBL4964417 0.76 IDO1 (0.47) ALDH1A1MAPTIDO1TDO2FAAH
SCHEMBL21061072 0.75 IDO1 (0.50) ALDH1A1MAPTIDO1TDO2NPC1
SCHEMBL21289330 0.75 IDO1 (0.82) IDO1TDO2CYP2C8CYP2C9
SCHEMBL15152945 0.74 MAPK7 (0.42) ALDH1A1MAPTIDO1TDO2CYP2C8
SCHEMBL903158 0.74 MAPK7 (0.42) ALDH1A1MAPTIDO1TDO2CYP2C8
SCHEMBL18806739 0.73 IDO1 (0.76) IDO1TDO2CYP2C8CYP2C9

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 ALDH1A1 2810/4885LMNA 1575/4885MAPT 4814/4885

“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.