SCHEMBL4169154

SCHEMBL4169154

CC(=O)C(C#N)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALOX5 P09917 1/20 0.43
CTSK P43235 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL8684068 0.82 ALDH1A1 (0.46) ALOX5SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1251540 0.82 KMT2A (0.41) CYP1A2ALOX5CTSKSMN1; SMN2MEN1
SCHEMBL1720514 0.81 LMNA (0.51) SMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL7740756 0.81 BRD4 (0.53) ALDH1A1POLB
SCHEMBL18172114 0.81 MEN1 (0.47) CYP1A2ALOX5CTSKSMN1; SMN2MEN1
SCHEMBL30771289 0.80 CYP1A2 (0.44) CYP1A2ALOX5CTSKSMN1; SMN2MEN1
SCHEMBL1720075 0.80 ALDH1A1 (0.49) CYP1A2ALOX5SMN1; SMN2KMT2AALDH1A1
SCHEMBL4175399 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1AKR1C3AKR1C1
SCHEMBL28859983 0.78 ALDH1A1 (0.33) SMN1; SMN2MEN1KMT2AALDH1A1AKR1C3
SCHEMBL1095499 0.78 ALDH1A1 (0.47) ALOX5SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
CN-102020601-B Method for synthesizing N-aryl indole-3-nitrile derivative UNIV TIANJIN 2012-10-24 CN disclosed
CN-102020601-A Method for synthesizing N-aryl indole-3-nitrile derivative UNIV TIANJIN 2011-04-20 CN disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
CN-101394853-A Use of pyrazolo [1, 5-a ] pyrimidin-7-ylamine derivatives in the treatment of neurological disorders NOVARTIS AG (CH) 2009-03-25 CN 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
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN 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 CYP1A2 2442/4885ALOX5 846/4885CTSK 3016/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 CYP1A2 1014/4885ALOX5 1475/4885CTSK 922/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 CYP1A2 1014/4885ALOX5 1475/4885CTSK 922/4885

“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.