SCHEMBL4166227

SCHEMBL4166227

COC(C#N)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALOX5 P09917 1/20 0.34
NAAA Q02083 1/20 0.34
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PYCR1 P32322 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2A6 P11509 1/20 0.33
CTSK P43235 1/20 0.33
ACHE P22303 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
SCHEMBL12742275 0.79 ESR1 (0.54) ALDH1A1CYP1A2MAPTSMN1; SMN2CYP2D6
SCHEMBL4811110 0.79 KDM4E (0.38) KDM4EALDH1A1POLBNPSR1CYP1A2
SCHEMBL198465 0.78 TSHR (0.46) ALDH1A1POLBGAASMN1; SMN2
SCHEMBL198464 0.78 TSHR (0.46) ALDH1A1POLBGAASMN1; SMN2
SCHEMBL27625768 0.78 TSHR (0.46) ALDH1A1POLBGAASMN1; SMN2
SCHEMBL4171697 0.77 IDO1 (0.41) KDM4EALDH1A1
SCHEMBL5684868 0.77 ALDH1A1 (0.31) ALDH1A1GAAACHE
SCHEMBL4160843 0.71 ALOX5 (0.41) KDM4EALDH1A1CYP1A2ALOX5NAAA
SCHEMBL164184 0.71 ALOX5 (0.41) KDM4EALDH1A1CYP1A2ALOX5NAAA
SCHEMBL734869 0.71 ALOX5 (0.38) KDM4EALDH1A1CYP1A2ALOX5NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 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 (3 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-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 KDM4E 2164/4885ALDH1A1 578/4885POLB 4118/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885ALDH1A1 1515/4885POLB 1229/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KDM4E 1049/4885ALDH1A1 1515/4885POLB 1229/4885

“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.