SCHEMBL7106844

SCHEMBL7106844

N#Cc1ccc(-c2ccccc2Cc2c(C#N)cccc2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.43
PARP2 Q9UGN5 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
BRS3 P32247 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
BCAT2 O15382 1/20 0.39
CDC7 O00311 1/20 0.38
AR P10275 1/20 0.38
ESR2 Q92731 1/20 0.38
CASP1 P29466 1/20 0.38
ADRA2C P18825 1/20 0.37
CSF1R P07333 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6163618 0.88 ADRA2C (0.52) PARP1BRS3PTGDR2BCAT2CDC7
SCHEMBL6165365 0.79 IRAK4 (0.44) PARP1PARP2IRAK4BRS3PTGDR2
SCHEMBL28045856 0.77 BCAT2 (0.65) PARP1PARP2IRAK4BRS3LTB4R2
SCHEMBL28119893 0.75 NPC1 (0.44) PARP1BCAT2NPC1RAB9AMAPT
SCHEMBL4952744 0.73 BCAT2 (0.62) PARP1PARP2BRS3BCAT2CDC7
SCHEMBL6165692 0.72 ADRA2C (0.55) PARP1IRAK4PTGDR2CDC7ADRA2C
SCHEMBL6164527 0.71 PARP1 (0.47) PARP1PARP2IRAK4BRS3AR
SCHEMBL6804935 0.71 TSHR (0.47) PARP1PARP2BRS3ARCASP1
SCHEMBL6203169 0.70 PARP1 (0.49) PARP1CDC7ARNPC1RAB9A
SCHEMBL6164290 0.70 BRS3 (0.57) BRS3LTB4R2BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI PARP1 1634/4885PARP2 2495/4885IRAK4 4257/4885

“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.