SCHEMBL1073696

SCHEMBL1073696

Oc1cc(C2CCSCC2)nc2ccnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.41
▸ CCNA2 P20248 4/20 0.41
▸ CCNA1 P78396 4/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.41
▸ HTR1D P28221 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ MRGPRX2 Q96LB1 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ CDK9 P50750 10/20 0.33
▸ CCNT1 O60563 9/20 0.33
▸ RAD52 P43351 1/20 0.33

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
SCHEMBL29152851 0.86 CDK2 (0.50) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL12953163 0.85 CDK2 (0.49) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL30758 0.82 CHEK1 (0.60) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL583594 0.78 CHEK1 (0.38) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL584533 0.78 HPGD (0.39) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL14545219 0.76 CHEK1 (0.39) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL16784469 0.75 CHEK1 (0.73) CDK2CCNA2CCNA1CHEK1CDK1
SCHEMBL2679820 0.75 PDE10A (0.41) CDK2CCNA2CCNA1CHEK1PDE10A
SCHEMBL14413453 0.73 CHEK1 (0.39) CDK2CCNA2CCNA1CHEK1RAD52
SCHEMBL1024592 0.72 PDE10A (0.37) CDK2CCNA2CCNA1CHEK1PDE10A

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
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
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 — — EP 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 CDK2 31/4885CCNA2 203/4885CCNA1 97/4885

“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.

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