SCHEMBL43057

SCHEMBL43057

Nc1cc(Cl)nc2c(I)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 4/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDK2 P24941 6/20 0.36
CHEK1 O14757 5/20 0.36
CCNA2 P20248 5/20 0.36
CCNA1 P78396 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 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
SCHEMBL13901457 0.81 PDE10A (0.43) KDM4EMAPTRAB9AALDH1A1CDK2
SCHEMBL23242923 0.81 MEN1 (0.42) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL10131207 0.81 CHEK1 (0.37) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL11931303 0.79 CDK2 (0.56) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL23181597 0.78 KDM4E (0.40) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL4005930 0.76 MEN1 (0.41) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL20689133 0.75 CDK2 (0.45) CDK2CHEK1CCNA2CCNA1TYK2
SCHEMBL13901524 0.75 KDM4E (0.38) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL14050801 0.75 CDK2 (0.50) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL13901473 0.73 CHEK1 (0.38) KDM4EMEN1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621925-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2017-06-21 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2012047569-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-04-12 WO disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 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 (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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR KDM4E 799/4885MEN1 948/4885NPC1 697/4885
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK2, CDK1, CDKN1A KDM4E 731/4885MEN1 3219/4885NPC1 3835/4885

“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.