SCHEMBL20138823

SCHEMBL20138823

CCOC(=O)c1cnc2c(Br)cccc2c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3061001 0.88 KMT2A (0.50) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6293263 0.87 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL437697 0.87 KMT2A (0.68) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL30071070 0.86 KMT2A (0.48) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL20154238 0.86 KMT2A (0.48) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL17128365 0.86 KMT2A (0.60) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL20702366 0.85 KMT2A (0.47) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL19021085 0.83 MEN1 (0.69) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7369890 0.82 NUDT1 (0.52) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL29643272 0.78 KMT2A (0.44) KMT2AMEN1NPC1RAB9AKDM4E

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
US-11505545-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-22 US disclosed
CN-109890793-B Novel anthelmintic quinoline-3-carboxamide derivatives 拜耳动物保健有限责任公司 2022-11-18 CN disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 EP disclosed
EP-3538512-B1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2021-06-16 EP disclosed
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2021-04-22 US disclosed
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2021-04-22 US disclosed
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-01-12 US disclosed
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-01-12 US disclosed
EP-3538512-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES Bayer Animal Health GmbH (DE) 2019-09-18 EP disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 WO disclosed
WO-2018087036-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2018-05-17 WO 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 (3 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-11505545-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 KMT2A 623/4885MEN1 1839/4885NPC1 2094/4885
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 KMT2A 621/4885MEN1 1936/4885NPC1 2081/4885
US-10889573-B2 Anthelmintic quinoline-3-carboxamide derivatives HRH4, HRH2, H1-5 KMT2A 569/4885MEN1 1693/4885NPC1 2053/4885

“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.