SCHEMBL12166977

SCHEMBL12166977

Cn1nc(N)c2ccc(N3CCCCCC3)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 3/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ HTR3A P46098 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BRS3 P32247 1/20 0.39
▸ PIM1 P11309 3/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL12168197 0.78 GRM2 (0.41) SMPD3PARP1GRM2SMN1; SMN2PIM1
SCHEMBL12807672 0.78 GRM2 (0.41) SMPD3PARP1GRM2SMN1; SMN2PIM1
SCHEMBL12168198 0.78 GRM2 (0.41) SMPD3PARP1HTR3AGRM2PIM1
SCHEMBL12188287 0.77 GRM2 (0.40) SMPD3PARP1GRM2PIM1ALDH1A1
SCHEMBL12168142 0.77 PARP1 (0.45) PARP1HTR3AGRM2SMN1; SMN2PIM1
SCHEMBL12168180 0.76 PARP1 (0.44) SMPD3PARP1GRM2PIM1ALDH1A1
SCHEMBL12166824 0.74 GRM2 (0.38) SMPD3PARP1GRM2HRH4PIM1
SCHEMBL12167733 0.74 GRM2 (0.38) SMPD3PARP1GRM2HRH4PIM1
SCHEMBL12168190 0.74 HTT (0.41) SMPD3PARP1GRM2SMN1; SMN2PIM1
SCHEMBL12168178 0.74 PARP1 (0.42) PARP1GRM2PIM1ALDH1A1POLB

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 SMPD3 2063/4885MAP4K4 3492/4885PARP1 3673/4885

“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.

Send feedback