SCHEMBL188561

SCHEMBL188561

COc1ccc(COc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
MAOA P21397 1/20 0.55
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
APP P05067 7/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMPD1 P17405 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
SCHEMBL18639804 0.88 MAOB (0.55) MAOBMAOACYP11B1CYP11B2NPC1
SCHEMBL188284 0.88 MAOB (0.55) MAOBMAOAAPPNPC1RAB9A
SCHEMBL4435816 0.88 MAOB (0.57) MAOBMAOAAPPNPC1RAB9A
SCHEMBL13739621 0.88 APP (0.49) MAOBMAOACYP11B1CYP11B2APP
SCHEMBL20465388 0.85 MAOB (0.76) MAOBMAOACYP11B1CYP11B2APP
SCHEMBL427002 0.85 MAOB (0.74) MAOBMAOACYP11B1CYP11B2
SCHEMBL12907083 0.83 MAOB (0.47) MAOBMAOACYP11B1CYP11B2
SCHEMBL4426825 0.83 MAOB (0.52) MAOBMAOACYP11B1CYP11B2
SCHEMBL8135327 0.82 MAOB (0.54) MAOBMAOACYP11B1CYP11B2
SCHEMBL2539990 0.82 CYP11B1 (0.58) MAOBCYP11B1CYP11B2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK MAOB 563/4885MAOA 2305/4885CYP11B1 768/4885

“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.