SCHEMBL4808335

SCHEMBL4808335

O=C1CCc2cc(CN3CCN(C(=O)c4ccncc4)CC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
LSS P48449 2/20 0.55
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 4/20 0.53
HIF1A Q16665 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 2/20 0.50
CYP2C19 P33261 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
USP2 O75604 1/20 0.47
KCNH2 Q12809 2/20 0.47
CCR8 P51685 1/20 0.47
KCNJ1 P48048 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.46

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
SCHEMBL4819242 0.91 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1POLBLSS
SCHEMBL4815923 0.84 CYP3A4 (0.55) ALDH1A1CYP3A4CYP2D6HIF1AMEN1
SCHEMBL4821094 0.77 CHKA (0.49) HRH3
SCHEMBL4819958 0.77 KCNJ1 (0.46) KDM4ESMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL4820676 0.76 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL4816615 0.75 CYP3A4 (0.55) ALDH1A1CYP3A4CYP2D6HIF1AMEN1
SCHEMBL4817568 0.75 MEN1 (0.56) KDM4EALDH1A1CYP3A4CYP2D6MEN1
SCHEMBL6174511 0.74 LSS (0.52) KDM4EPOLBLSSCYP46A1
SCHEMBL4818998 0.73 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2ATSHRHRH3
SCHEMBL95294 0.71 LSS (0.67) KDM4ESMN1; SMN2ALDH1A1POLBLSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KDM4E 1449/4885SMN1; SMN2 4830/4885ALDH1A1 3901/4885

“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.