SCHEMBL4843204

SCHEMBL4843204

CN(C)CCn1nc2ccccc2c1N1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ ADRA1B P35368 2/20 0.42
▸ KAT2B Q92831 3/20 0.41
▸ ROCK1 Q13464 1/20 0.39
▸ MPO P05164 5/20 0.36
▸ HAVCR2 Q8TDQ0 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ TDO2 P48775 2/20 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
SCHEMBL4852119 0.76 TOP2A (0.42) TOP2AADRA1AHRH1ADRA1BKAT2B
SCHEMBL15880124 0.72 ROCK1 (0.48) TOP2AADRA1AHRH1ADRA1BROCK1
SCHEMBL17324830 0.72 ROCK1 (0.48) TOP2AADRA1AHRH1ADRA1BKAT2B
SCHEMBL17321546 0.70 ROCK1 (0.47) TOP2AADRA1AHRH1ADRA1BKAT2B
SCHEMBL15880333 0.69 ROCK1 (0.48) TOP2AADRA1AHRH1ADRA1BKAT2B
SCHEMBL4850204 0.68 GSK3B (0.46) TOP2AADRA1AHRH1ADRA1BKAT2B
SCHEMBL10832034 0.65 TOP2A (0.45) TOP2AADRA1AHRH1ADRA1BKAT2B
SCHEMBL3974796 0.64 SMN1; SMN2 (0.64) ADRA1AHRH1ADRA1BSMN1; SMN2
SCHEMBL10831636 0.63 GLS (0.45) TOP2AADRA1AHRH1ADRA1BROCK1
Hydrochloric Acid SCHEMBL4087801 0.63 SMN1; SMN2 (0.62) ADRA1AHRH1ADRA1BSMN1; SMN2

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-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-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 TOP2A 1429/4885ADRA1A 4273/4885HRH1 2923/4885

“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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