SCHEMBL4092017

SCHEMBL4092017

Fc1ccc(CNc2cccc(Br)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
MAOB P27338 1/20 0.49
PPARA Q07869 2/20 0.48
ATM Q13315 1/20 0.47
KCNH3 Q9ULD8 1/20 0.46
HPGD P15428 1/20 0.46
CACNA1B Q00975 1/20 0.46
CNR2 P34972 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
SCHEMBL6692354 0.87 PPARA (0.54) MEN1KMT2AMAPTMAOBPPARA
SCHEMBL1965560 0.84 FFAR1 (0.51) EGFRMEN1KMT2A
SCHEMBL11510710 0.81 FFAR1 (0.57) EGFRMEN1KMT2AMAPT
SCHEMBL4927105 0.80 MAPT (0.45) EGFRMEN1KMT2AMAPTATM
SCHEMBL6695962 0.80 AGER (0.58) EGFRMEN1KMT2AMAPTPPARA
SCHEMBL10055035 0.80 HPGD (0.67) MEN1KMT2AMAPTPPARAHPGD
SCHEMBL5452615 0.79 MAOB (0.64) MEN1KMT2AMAPTMAOBPPARA
SCHEMBL5998792 0.79 FLT1 (0.55) EGFRMAPTKCNH3
SCHEMBL14808999 0.79 MAPT (0.67) EGFRMEN1KMT2AMAPTPPARA
SCHEMBL1241386 0.79 CA1 (0.48) EGFRMEN1KMT2AMAOBPPARA

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
US-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2009-09-10 US disclosed
EP-1742921-A2 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005103010-A2 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-11-03 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-20090227648-A1 PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER TP53, PDK2, PDK1 EGFR 1343/4885MEN1 2566/4885KMT2A 2817/4885

“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.