SCHEMBL4808545

SCHEMBL4808545

O=C(c1ccc(Br)cc1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.48
LMNA P02545 1/20 0.47
MAOB P27338 1/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP24A1 Q07973 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
MGAM O43451 1/20 0.40

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
SCHEMBL6194622 0.94 ADH5 (0.48) CYP19A1LMNAMAOBHPGDALDH1A1
SCHEMBL9807751 0.91 CYP19A1 (0.46) CYP19A1MAPTHTTTDP1CYP3A4
SCHEMBL13028408 0.85 ADH5 (0.51) CYP19A1ALDH1A1MAPTHTTCYP3A4
SCHEMBL18280916 0.84 ADH5 (0.54) CYP19A1LMNACYP3A4BAZ2B
SCHEMBL9879507 0.82 LSS (0.47) CYP19A1MAPTCYP11B1CYP11B2CES2
SCHEMBL31388138 0.82 TPMT (0.41) CYP19A1MAPTHTTCYP3A4BAZ2B
SCHEMBL30580646 0.82 LTA4H (0.47) CYP19A1CYP11B1CYP11B2CES2CES1
SCHEMBL11106769 0.82 MAOB (0.46) CYP19A1LMNAMAOBALDH1A1PKM
SCHEMBL25931829 0.82 CYP19A1 (0.55) CYP19A1LMNAHPGDALDH1A1MAPT
SCHEMBL1424751 0.81 CYP19A1 (0.47) CYP19A1MAPTCYP24A1CYP3A4

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
US-7767388-B2 Method for monitoring the stereoselectivity and relative rate of organic chemical reactions NUTECH VENTURES (US) 2010-08-03 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CYP19A1 1646/4885LMNA 3785/4885MAOB 3311/4885

“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.