SCHEMBL4815855

SCHEMBL4815855

COc1ccc2cc(C(=O)n3ccnc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
CYP19A1 P11511 4/20 0.49
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1B1 Q16678 1/20 0.46
PLAU P00749 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP26A1 O43174 1/20 0.43
KLK7 P49862 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
PLG P00747 1/20 0.41

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
SCHEMBL11110140 0.87 CYP19A1 (0.55) CYP19A1CYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL1186098 0.82 CES2 (0.49) KDM4ECYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL6389593 0.79 PDGFRB (0.60) KDM4ECYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL7290470 0.78 NPC1 (0.49) CYP1A2CYP3A4CYP1A1CYP2D6CYP1B1
SCHEMBL5821865 0.77 PTGS2 (0.58) CYP1A2MAPTTSHR
SCHEMBL13028396 0.77 FAAH (0.46) CYP19A1CYP3A4ALDH1A1HPGDMAPT
SCHEMBL27431185 0.77 HSD11B1 (0.43) KDM4ECYP3A4ALDH1A1HSD17B10KLK7
SCHEMBL8335586 0.77 NOS2 (0.42) CYP11B1CYP11B2CYP19A1CYP1A2CYP3A4
SCHEMBL9807751 0.77 CYP19A1 (0.46) CYP19A1CYP3A4MAPTTBXAS1
Hydrochloric Acid SCHEMBL11181766 0.76 ALPG (0.61) CYP11B1CYP11B2CYP19A1CYP1A2ALDH1A1

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 KDM4E 2898/4885CYP11B1 1508/4885CYP11B2 2040/4885

“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.