Sugi Predict

Sugi Predict / Compounds / SCHEMBL30758

SCHEMBL30758

SCHEMBL30758

Nc1cc(C2CCSCC2)nc2ccnn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.60
▸ CDK2 P24941 8/20 0.60
▸ CCNA2 P20248 7/20 0.60
▸ CCNA1 P78396 7/20 0.60
▸ PDE10A Q9Y233 2/20 0.44
▸ CDK9 P50750 5/20 0.34
▸ CCNT1 O60563 4/20 0.34
▸ CDK7 P50613 3/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ CCNH P51946 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 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

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
SCHEMBL7846641 0.89 CHEK1 (0.68) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL1073696 0.82 CDK2 (0.41) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL584858 0.81 CHEK1 (0.59) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL20974 0.81 CHEK1 (0.59) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL1075532 0.78 CDK2 (0.55) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL583997 0.78 CHEK1 (0.55) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL593655 0.77 CDK2 (0.54) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL583804 0.76 CHEK1 (0.56) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL21498 0.76 CDK2 (0.53) CHEK1CDK2CCNA2CCNA1PDE10A
SCHEMBL30757838 0.75 CHEK1 (1.00) CHEK1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 — — EP disclosed
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 — — EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 — — US disclosed
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 — — EP disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — 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-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — WO disclosed
WO-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — WO disclosed
WO-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — WO 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 (2 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR CHEK1 1496/4885CDK2 379/4885CCNA2 1900/4885
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 185/4885CDK2 31/4885CCNA2 203/4885

“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.