SCHEMBL6892718

SCHEMBL6892718

c1ccc(-c2ccc(-c3cnn4c3nc(C3CCNCC3)c3cc[nH]c34)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.51
RPTOR Q8N122 3/20 0.51
MLST8 Q9BVC4 3/20 0.51
CHEK1 O14757 6/20 0.41
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CCNA1 P78396 5/20 0.41
PLAT P00750 7/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
KDR P35968 1/20 0.36
ETV6 P41212 1/20 0.36

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
SCHEMBL1023287 0.88 MTOR (0.53) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890659 0.88 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10257899 0.87 MTOR (0.48) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14669950 0.87 MTOR (0.53) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15795616 0.87 MTOR (0.53) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10254689 0.86 MTOR (0.47) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL1073657 0.86 MTOR (0.51) MTORRPTORMLST8
SCHEMBL16104570 0.86 MTOR (0.51) MTORRPTORMLST8
SCHEMBL10253498 0.85 MTOR (0.47) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6891588 0.84 CHEK1 (0.42) MTORRPTORMLST8CHEK1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 14/4885

“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.