SCHEMBL10189796

SCHEMBL10189796

COc1cc(-c2[nH]nnc2-c2ccc(Br)cc2)cc(C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ADAM17 P78536 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL408776 0.92 ACHE (0.46) CHEK1ACHEKDM4EMEN1ALDH1A1
SCHEMBL414049 0.87 ACHE (0.46) ACHETP53MAPTKDM4EMEN1
SCHEMBL411699 0.81 CHEK1 (0.46) CHEK1ACHETP53MAPTKDM4E
SCHEMBL14847316 0.81 TUBB4A (0.41) KDM4EALDH1A1HPGDMAPK1TUBB4A
SCHEMBL31237897 0.80 TUBB4A (0.52) ACHETP53MAPTKDM4EMEN1
SCHEMBL10189701 0.78 HTT (0.46) MAPTMEN1KMT2ATUBB4ATUBB
SCHEMBL411314 0.77 TUBB4A (0.48) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL407740 0.77 KDM4E (0.45) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL413408 0.77 CHEK1 (0.40) CHEK1ACHETP53MAPTMEN1
SCHEMBL27630953 0.76 DYRK1B (0.45) ACHETP53MAPTMEN1HPGD

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CHEK1 395/4885ACHE 4837/4885TP53 25/4885

“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.