SCHEMBL13619367

SCHEMBL13619367

CC(C)(C)c1cc2nc(N)[nH]c2cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 2/20 0.51
PLAU P00749 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MASP2 O00187 1/20 0.38
MEN1 O00255 1/20 0.38
NUDT1 P36639 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 1/20 0.38
CACNA1H O95180 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL10299149 0.81 MAPT (0.50) ALDH1A1MEN1KMT2ACACNA1HTDP1
SCHEMBL18596219 0.81 ALDH1A1 (0.44) ALDH1A1CACNA1HKDM4EHPGDCYP1A2
SCHEMBL14278 0.80 FABP6 (0.59) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL3265566 0.78 KDM4E (0.51) ALDH1A1KDM4EHPGDCYP1A2HSD17B10
SCHEMBL3266088 0.78 GAA (0.53) MEN1KMT2ACACNA1HTDP1POLB
SCHEMBL8239403 0.77 FABP6 (0.72) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL5682259 0.75 CACNA1H (0.62) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL5924157 0.74 HTR3E (0.53) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL13631341 0.73 FABP6 (0.51) FABP6PLAUHTR3EHTR3BHTR3A
SCHEMBL11373844 0.72 FABP6 (0.50) FABP6PLAUHTR3EHTR3BHTR3A

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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 FABP6 2989/4885PLAU 19/4885HTR3E 3313/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 FABP6 2989/4885PLAU 19/4885HTR3E 3313/4885

“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.