SCHEMBL4565063

SCHEMBL4565063

O=C1C=C(c2cn(CCO)c3ccccc23)C(=O)N1c1ccc(OCCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PTPN7 P35236 2/20 0.39
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCE Q02156 1/20 0.38
CDK4 P11802 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL4564847 0.90 CCNB2 (0.51) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4559552 0.84 S1PR1 (0.37) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL4565065 0.75 PRKCB (0.47) PRKCBPRKCAPRKCECDK4PRKACA
SCHEMBL8923158 0.74 GSK3B (0.47) PRKCBPRKCAPRKCECDK4PRKACA
SCHEMBL19751957 0.69 GSK3B (0.50) PRKCBPRKCAPRKCECDK4PRKACA
SCHEMBL4564844 0.66 CCNB2 (0.58) MAPTSMN1; SMN2TSHRPRKCBPRKCA
SCHEMBL25282614 0.66 CAMK2D (0.57) PRKACAPRKACGPRKACB
SCHEMBL10648169 0.66 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL8619764 0.64 CAMK2D (0.57) PRKCAPRKACAPRKACGPRKACB
SCHEMBL10433663 0.63 PRKCA (0.57) MAPTSMN1; SMN2TSHRPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 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-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK MAPT 2315/4885POLB 1342/4885ALDH1A1 3937/4885

“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.