SCHEMBL21459916

SCHEMBL21459916

O=C(O)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.60
LTA4H P09960 1/20 0.60
KMT2A Q03164 5/20 0.55
MEN1 O00255 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 2/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
DGAT1 O75907 1/20 0.52
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49

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
SCHEMBL4504068 0.88 MEN1 (0.54) HTR2CLTA4HKMT2AMEN1GAA
SCHEMBL31129273 0.86 SMN1; SMN2 (0.65) HTR2CLTA4HKMT2AMEN1CASP3
SCHEMBL8143964 0.83 PKM (0.65) HTR2CKMT2AMEN1CASP3SENP8
SCHEMBL5525945 0.81 LTA4H (0.57) HTR2CLTA4HKMT2AMEN1CASP3
SCHEMBL3352973 0.80 GAA (0.67) KMT2AGAAPKMMAPTRAB9A
SCHEMBL19676352 0.79 KMT2A (0.50) HTR2CLTA4HKMT2AMEN1CASP3
SCHEMBL2862245 0.79 KDM4E (0.57) LTA4HKMT2AMEN1CASP3SENP8
SCHEMBL1290832 0.79 KCNQ3 (0.66) HTR2CKMT2AMEN1CASP3SENP8
SCHEMBL6179298 0.79 RAB9A (0.79) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL31305928 0.79 KCNQ3 (0.66) HTR2CKMT2AMEN1CASP3SENP8

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
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN claimed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 HTR2C 222/4885LTA4H 381/4885KMT2A 1059/4885

“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.