SCHEMBL19207313

SCHEMBL19207313

COC(=O)c1cc(Br)nc(-c2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CASP3 P42574 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ADORA3 P0DMS8 3/20 0.48
ADORA2A P29274 3/20 0.48
KDM4E B2RXH2 3/20 0.47
PLA2G2A P14555 1/20 0.46
MAP2K4 P45985 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL28468584 0.86 MAPT (0.55) NPC1RAB9ASMN1; SMN2ADORA3KDM4E
SCHEMBL28910253 0.83 KDM4E (0.43) RAB9ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL28530703 0.83 KDM4E (0.43) NPC1RAB9ASMN1; SMN2KDM4EPLA2G2A
SCHEMBL12837985 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL16533700 0.83 NPC1 (0.51) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL30007819 0.83 NPC1 (0.51) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL19258920 0.82 ADORA3 (0.45) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL19207281 0.82 CA12 (0.54) ADORA3ADORA2AKDM4EALDH1A1HPGD
SCHEMBL18389333 0.80 MAPT (0.46) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL805895 0.79 SCN9A (0.64) NPC1RAB9ACASP3SMN1; SMN2SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed
CN-108473462-B Pyrazole-pyridine derivatives as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 EP disclosed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 US disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE NPC1 842/4885RAB9A 573/4885CASP3 569/4885
US-10457663-B2 Pyrazol-pyridine derivatives MC3R, MC2R, DRD3 NPC1 2686/4885RAB9A 996/4885CASP3 2137/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 NPC1 2686/4885RAB9A 996/4885CASP3 2137/4885

“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.