SCHEMBL4815923

SCHEMBL4815923

O=C1CCc2cc(CN3CCN(C(=O)c4cnccn4)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 8/20 0.54
CYP2C9 P11712 5/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 2/20 0.51
USP2 O75604 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.49
PARP1 P09874 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4816615 0.92 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL4808335 0.84 KDM4E (0.56) CYP3A4CYP2D6CYP2C9TSHRALDH1A1
SCHEMBL4819242 0.75 KDM4E (0.56) CYP3A4CYP2D6CYP2C9TSHRALDH1A1
SCHEMBL4817568 0.73 MEN1 (0.56) CYP3A4CYP1A2CYP2D6TSHRALDH1A1
SCHEMBL4821094 0.73 CHKA (0.49) PARP1
SCHEMBL4816896 0.73 KDR (0.68) CYP3A4
SCHEMBL4819958 0.73 KCNJ1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL4820676 0.72 ALDH1A1 (0.49) TSHRALDH1A1MEN1KMT2A
SCHEMBL4818998 0.69 SMN1; SMN2 (0.58) TSHRALDH1A1KMT2APARP1
SCHEMBL4813914 0.69 KDR (0.68) CYP3A4

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
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
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CYP3A4 1811/4885CYP1A2 2708/4885CYP2D6 2834/4885

“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.