SCHEMBL4849912

SCHEMBL4849912

O=C1C=CC(=O)N1c1cn(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR9 Q9NR96 1/20 0.40
GAA P10253 1/20 0.38
PRKCG P05129 4/20 0.38
PRKCB P05771 4/20 0.38
PRKCA P17252 4/20 0.38
GSK3B P49841 4/20 0.38
KCNH2 Q12809 4/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
MGLL Q99685 3/20 0.36

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
SCHEMBL6355781 0.90 HSP90AA1 (0.46) HSP90AA1HTR7TLR9MGLL
SCHEMBL6345973 0.87 MGLL (0.45) HSP90AA1ALDH1A1SMN1; SMN2TLR9MGLL
SCHEMBL6345530 0.82 MGLL (0.50) HSP90AA1ALDH1A1POLBTLR9MGLL
SCHEMBL6354137 0.78 ALDH1A1 (0.41) HSP90AA1HTR7ALDH1A1RAB9APMM2
SCHEMBL6348067 0.75 TLR9 (0.40) ALDH1A1TLR9MGLLFAAH
SCHEMBL6344199 0.75 TLR9 (0.40) ALDH1A1RAB9ANPC1TLR9MGLL
SCHEMBL4845035 0.75 PRKCB (0.45) HTR7ALDH1A1TLR9GAAPRKCG
SCHEMBL29510752 0.75 HSP90AA1 (1.00) HSP90AA1ALDH1A1MGLLFAAH
SCHEMBL2146237 0.75 HSP90AA1 (1.00) HSP90AA1ALDH1A1MGLLFAAH
SCHEMBL29030268 0.74 HTR7 (0.42) HSP90AA1HTR7ALDH1A1RAB9APMM2

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-7329657-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-02-12 US disclosed
US-7304060-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-04 US disclosed
US-6849643-B2 Indazolyl-substituted pyrroline compounds as kinase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-01 US disclosed
US-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors ZHANG HAN-CHENG (US) 2005-01-06 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 (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-20050004202-A1 Indazolyl-substituted pyrroline compounds as kinase inhibitors MAP2K2, MAP3K20, MAP2K3 HSP90AA1 1339/4885HTR7 3837/4885ALDH1A1 3369/4885

“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.