SCHEMBL8180604

SCHEMBL8180604

CCc1c[nH]c(=O)c2cc(N)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
HPGD P15428 2/20 0.41
CYP2C19 P33261 1/20 0.41
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ELANE P08246 2/20 0.36
HTR2A P28223 1/20 0.35
MAPT P10636 2/20 0.34
GFER P55789 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33

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
SCHEMBL14864845 0.81 PARP1 (0.45) PARP1HTR1DHTR2AMAPTRAB9A
SCHEMBL8183977 0.79 PARP1 (0.49) PARP1HPGDMAPTGFERNPC1
SCHEMBL398434 0.79 HTR2A (0.51) HPGDCYP2C19HTR1AHTR1DHTR1B
SCHEMBL3103740 0.79 HPGD (0.62) HPGDCYP2C19HTR1AHTR1DHTR1B
SCHEMBL5484715 0.79 HTR2A (0.51) HPGDCYP2C19HTR1AHTR1DHTR1B
SCHEMBL8184390 0.77 HTR1D (0.47) PRMT5WDR77HTR1DHTR1BMAPT
SCHEMBL11816663 0.76 PARP1 (0.52) PARP1HPGDCYP2C19HTR1AHTR2A
SCHEMBL8179036 0.75 PARP1 (0.49) PARP1HPGDCYP2C19MAPTGFER
SCHEMBL17301314 0.75 ROCK1 (0.47) PARP1HPGDPRMT5WDR77MAPT
SCHEMBL3312070 0.75 PARP1 (0.49) PARP1HPGDCYP2C19PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 PARP1 2241/4885HPGD 4578/4885CYP2C19 829/4885

“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.