SCHEMBL456789

SCHEMBL456789

Nc1c(CO)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 2/20 0.38
POLQ O75417 1/20 0.38
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KIF11 P52732 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL10949699 0.82 MAOB (0.46) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL29389277 0.81 IDO1 (0.57) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL44837 0.81 IDO1 (0.57) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL27360288 0.80 CA2 (0.45) ALDH1A1POLBTDP1PDK2KDM4E
SCHEMBL9861905 0.80 GABRA1 (0.45) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL10347842 0.80 IDO1 (0.44) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL11620702 0.80 IDO1 (0.44) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL10701903 0.79 IDO1 (0.41) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL10347841 0.78 IDO1 (0.43) IDO1ALDH1A1POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL10665433 0.78 IDO1 (0.46) IDO1ALDH1A1POLBTDP1L3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153996-B As quinoline and the quinoxaline derivatives of kinase inhibitor UCB PHARMA S.A. (BE) 2016-01-27 CN disclosed
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
CN-103153996-A Quinoline and quinoxaline derivatives as kinase inhibitors UCB PHARMA SA 2013-06-12 CN disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 WO disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 US disclosed
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 IDO1 2164/4885ALDH1A1 4093/4885POLB 1667/4885

“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.