SCHEMBL23958640

SCHEMBL23958640

COC(=O)c1cc(Br)nc(-c2ccc(F)cc2)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
IKBKB O14920 1/20 0.44
PLA2G2A P14555 1/20 0.44
MAP2K4 P45985 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DHODH Q02127 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL109071 0.88 CA12 (0.42) LMNARAB9ANPC1CASP3SMN1; SMN2
SCHEMBL139223 0.88 MAPT (0.47) LMNARAB9ANPC1SMN1; SMN2MAP2K4
SCHEMBL110319 0.87 MAPT (0.48) LMNARAB9ANPC1CASP3SMN1; SMN2
SCHEMBL110248 0.85 KDM4E (0.42) RAB9ASLC6A3PLA2G2ACA12CA1
SCHEMBL25686480 0.84 LMNA (0.49) LMNARAB9ANPC1CASP3SMN1; SMN2
SCHEMBL110648 0.83 CA12 (0.47) LMNASMN1; SMN2SLC6A3CA12CA1
SCHEMBL110366 0.82 PDCD1 (0.47) LMNARAB9ANPC1SMN1; SMN2MAP2K4
SCHEMBL109836 0.81 ALOX5AP (0.40) RAB9AALDH1A1HPGDMAPTKDM4E
SCHEMBL139273 0.81 MKNK1 (0.45) ALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL110399 0.79 KMO (0.45) LMNAPLA2G2ADHODHMAPTKDM4E

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-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
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

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE LMNA 1243/4885RAB9A 573/4885NPC1 842/4885

“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.