SCHEMBL5019939

SCHEMBL5019939

COc1cc(F)cc(F)c1C1=CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.48
CCNT1 O60563 14/20 0.46
CDK9 P50750 14/20 0.46
HTR6 P50406 3/20 0.45
HTR7 P34969 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4562535 0.79 CCNT1 (0.50) QDPRCCNT1CDK9HTR6HTR7
SCHEMBL30388286 0.78 HTR6 (0.53) QDPRCCNT1CDK9HTR6HTR7
SCHEMBL15227112 0.77 KDM1A (0.46) CCNT1CDK9HTR6HTR7HTR2A
SCHEMBL5020013 0.77 CCNT1 (0.48) QDPRCCNT1CDK9HTR6HTR7
SCHEMBL31652100 0.74 ALK (0.49) QDPRCCNT1CDK9TGFBR1ACVR1
SCHEMBL16874849 0.73 QDPR (0.66) QDPRCCNT1CDK9HTR2CTGFBR1
SCHEMBL3547373 0.73 CCNT1 (0.61) QDPRCCNT1CDK9
SCHEMBL27553177 0.73 QDPR (0.70) QDPRCCNT1CDK9HTR2CBCL9
Hydrochloric Acid SCHEMBL979625 0.72 QDPR (0.64) QDPRCCNT1CDK9HTR2CTGFBR1
SCHEMBL31701454 0.71 CCNT1 (0.41) QDPRCCNT1CDK9HTR6HTR7

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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 QDPR 2833/4885CCNT1 3537/4885CDK9 2257/4885

“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.