SCHEMBL12168178

SCHEMBL12168178

Cn1nc(C(=O)CBr)c2ccc(N3CCCCCC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.42
▸ GRM2 Q14416 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ GRM5 P41594 4/20 0.37
▸ GRM1 Q13255 2/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL12168142 0.86 PARP1 (0.45) PARP1GRM2ALDH1A1POLBHPGD
SCHEMBL12168180 0.85 PARP1 (0.44) PARP1GRM2ALDH1A1POLBHPGD
SCHEMBL12168199 0.80 GRM2 (0.41) PARP1GRM2ALDH1A1POLBHPGD
SCHEMBL12168144 0.80 GRM2 (0.41) PARP1GRM2ALDH1A1POLBHPGD
SCHEMBL12167195 0.79 MEN1 (0.44) PARP1GRM2ALDH1A1POLBHPGD
SCHEMBL12168064 0.78 MAPT (0.48) ALDH1A1POLBHPGDALOX12NPC1
SCHEMBL12167214 0.78 ALDH1A1 (0.56) ALDH1A1POLBHPGDALOX12RAB9A
SCHEMBL12188167 0.77 GRM5 (0.43) PARP1ALDH1A1HPGDGRM5NPC1
SCHEMBL12167209 0.77 MEN1 (0.43) PARP1GRM2ALDH1A1POLBHPGD
SCHEMBL12168198 0.76 GRM2 (0.41) PARP1GRM2ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 — — US disclosed
US-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2012-09-13 — — US disclosed
WO-2011049987-A2 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2011-04-28 — — 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-20120232062-A1 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION HAVCR2, AZI2, ZC3HAV1 PARP1 3673/4885GRM2 4446/4885ALDH1A1 564/4885

“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.

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