SCHEMBL4813034

SCHEMBL4813034

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccc(CNC(=O)N4CCOCC4)s3)c3c2-c2ccccc2C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
BLM P54132 1/20 0.36
TP53 P04637 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3R2 O00459 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
PIK3R5 Q8WYR1 3/20 0.35
PIK3R3 Q92569 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
FKBP1A P62942 1/20 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
SCHEMBL4814467 0.93 KDR (0.38) TP53MEN1KMT2APTGS2ALDH1A1
SCHEMBL4808567 0.89 KDR (0.36) P2RX7LMNAPOLBALDH1A1KDM4E
SCHEMBL4808198 0.88 KDM5B (0.41) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL4819088 0.84 CASR (0.35) TP53MEN1KMT2APOLBALDH1A1
SCHEMBL4814648 0.82 MEN1 (0.35) TP53MEN1KMT2APOLBALDH1A1
SCHEMBL4817927 0.81 KDR (0.48) MEN1KMT2A
SCHEMBL4807369 0.81 CYP2C19 (0.33) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL4817214 0.77 KDR (0.57)
SCHEMBL4817962 0.77 HIF1A (0.33) TP53MEN1KMT2APOLBALDH1A1
SCHEMBL4808580 0.76 TSHR (0.33) MEN1KMT2AALDH1A1KDM4EHPGD

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 P2RX7 1760/4885BLM 3623/4885TP53 384/4885

“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.