SCHEMBL2392762

SCHEMBL2392762

CCNC(=O)c1cc2c3c(c1)C(c1cccc(F)c1)CCN3CCC2c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
USP5 P45974 1/20 0.41
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
KCNQ2 O43526 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.38
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HCRTR2 O43614 1/20 0.38
DRD4 P21917 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2392906 0.90 SMN1; SMN2 (0.45) BRD4USP5CYP2C9CYP2C19KCNQ2
SCHEMBL8989619 0.85 EPHX2 (0.42) BRD4CYP2C9CYP2C19KCNQ2MEN1
SCHEMBL8990120 0.81 DRD4 (0.46) KCNQ2MEN1KMT2ADRD4
SCHEMBL8989648 0.79 MEN1 (0.43) BRD4CYP2C9CYP2C19KCNQ2MEN1
SCHEMBL2392751 0.79 KDM4E (0.47) BRD4RIPK1KDM4EDRD4GAA
SCHEMBL1411444 0.78 DRD4 (0.42) KCNQ2KDM4EDRD4SMN1; SMN2ALDH1A1
SCHEMBL8989632 0.78 NPC1 (0.41) KMT2ADRD4CNR1CNR2ALDH1A1
SCHEMBL2395587 0.77 SMN1; SMN2 (0.47) BRD4RIPK1KDM4EDRD4HPGD
SCHEMBL2390751 0.77 NPC1 (0.40) BRD4CYP2C19KCNQ2MEN1KMT2A
SCHEMBL1411897 0.76 HPGD (0.43) KCNQ2KMT2ADRD4HPGDSMN1; SMN2

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-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 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 (4 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-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 BRD4 411/4885USP5 4550/4885CYP2C9 1791/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 BRD4 411/4885USP5 4550/4885CYP2C9 1791/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 BRD4 411/4885USP5 4550/4885CYP2C9 1791/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 BRD4 411/4885USP5 4550/4885CYP2C9 1791/4885

“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.